2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

C44H44N18O5 — CID 160909717

IUPAC2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESO=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ncnc2C1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.c1nc2n(n1)CCNC2
InChIInChI=1S/C22H21N9O2.C17H15N5O3.C5H8N4/c32-20(30-5-6-31-18(12-30)25-13-26-31)9-19-28-29-21(33-19)16-10-23-22(24-11-16)27-17-7-14-3-1-2-4-15(14)8-17;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-2-9-5(3-6-1)7-4-8-9/h1-4,10-11,13,17H,5-9,12H2,(H,23,24,27);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);4,6H,1-3H2
InChIKeySQPOBLLULCSIBE-UHFFFAOYSA-N
MW904.96 g/mol
LogP2.40
Rot. Bonds10

About 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 160909717) has the molecular formula C44H44N18O5 and a molecular weight of 904.96 g/mol. Its IUPAC name is 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID160909717
Molecular FormulaC44H44N18O5
Molecular Weight904.96 g/mol
Exact Mass904.37
IUPAC Name2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESO=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ncnc2C1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.c1nc2n(n1)CCNC2
InChIInChI=1S/C22H21N9O2.C17H15N5O3.C5H8N4/c32-20(30-5-6-31-18(12-30)25-13-26-31)9-19-28-29-21(33-19)16-10-23-22(24-11-16)27-17-7-14-3-1-2-4-15(14)8-17;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-2-9-5(3-6-1)7-4-8-9/h1-4,10-11,13,17H,5-9,12H2,(H,23,24,27);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);4,6H,1-3H2
InChIKeySQPOBLLULCSIBE-UHFFFAOYSA-N
XLogP2.40
TPSA284.52 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.96
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine (CID 160909717) is 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine is O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ncnc2C1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.c1nc2n(n1)CCNC2.
What is the InChIKey of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is SQPOBLLULCSIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2.C17H15N5O3.C5H8N4/c32-20(30-5-6-31-18(12-30)25-13-26-31)9-19-28-29-21(33-19)16-10-23-22(24-11-16)27-17-7-14-3-1-2-4-15(14)8-17;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-2-9-5(3-6-1)7-4-8-9/h1-4,10-11,13,17H,5-9,12H2,(H,23,24,27);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);4,6H,1-3H2.
What are the key properties of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 904.96 g/mol, XLogP of 2.40, 10 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 160909717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).