N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide

C14H18N6OS — CID 71932605

IUPACN-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCn3c(nnc3C3CC3)C2)cs1
InChIInChI=1S/C14H18N6OS/c1-9(21)15-14-16-11(8-22-14)6-19-4-5-20-12(7-19)17-18-13(20)10-2-3-10/h8,10H,2-7H2,1H3,(H,15,16,21)
InChIKeyKHNHNUDVFFREIW-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.59
Rot. Bonds4

About N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71932605) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID71932605
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC NameN-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCn3c(nnc3C3CC3)C2)cs1
InChIInChI=1S/C14H18N6OS/c1-9(21)15-14-16-11(8-22-14)6-19-4-5-20-12(7-19)17-18-13(20)10-2-3-10/h8,10H,2-7H2,1H3,(H,15,16,21)
InChIKeyKHNHNUDVFFREIW-UHFFFAOYSA-N
XLogP1.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 71932605) is N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCn3c(nnc3C3CC3)C2)cs1.
What is the InChIKey of N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KHNHNUDVFFREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-9(21)15-14-16-11(8-22-14)6-19-4-5-20-12(7-19)17-18-13(20)10-2-3-10/h8,10H,2-7H2,1H3,(H,15,16,21).
What are the key properties of N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 318.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71932605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).