2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C14H18N6O — CID 97390309

IUPAC2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESO=C(CC1CC1)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C14H18N6O/c21-14(5-11-1-2-11)19-4-3-18-6-12(17-13(18)8-19)7-20-10-15-9-16-20/h6,9-11H,1-5,7-8H2
InChIKeyXDVUVNHRTRWJBK-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.67
Rot. Bonds4

About 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 97390309) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID97390309
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESO=C(CC1CC1)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C14H18N6O/c21-14(5-11-1-2-11)19-4-3-18-6-12(17-13(18)8-19)7-20-10-15-9-16-20/h6,9-11H,1-5,7-8H2
InChIKeyXDVUVNHRTRWJBK-UHFFFAOYSA-N
XLogP0.67
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 97390309) is 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is O=C(CC1CC1)N1CCn2cc(Cn3cncn3)nc2C1.
What is the InChIKey of 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is XDVUVNHRTRWJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(5-11-1-2-11)19-4-3-18-6-12(17-13(18)8-19)7-20-10-15-9-16-20/h6,9-11H,1-5,7-8H2.
What are the key properties of 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 286.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97390309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).