2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C14H18N6O2 — CID 155880393

IUPAC2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1ccnc1)N1CCn2c(nn(CC3CC3)c2=O)C1
InChIInChI=1S/C14H18N6O2/c21-13(9-17-4-3-15-10-17)18-5-6-19-12(8-18)16-20(14(19)22)7-11-1-2-11/h3-4,10-11H,1-2,5-9H2
InChIKeyGATYLUFWOJBUOZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.31
Rot. Bonds4

About 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155880393) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155880393
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1ccnc1)N1CCn2c(nn(CC3CC3)c2=O)C1
InChIInChI=1S/C14H18N6O2/c21-13(9-17-4-3-15-10-17)18-5-6-19-12(8-18)16-20(14(19)22)7-11-1-2-11/h3-4,10-11H,1-2,5-9H2
InChIKeyGATYLUFWOJBUOZ-UHFFFAOYSA-N
XLogP-0.31
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
CID 130585938
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56710639
(7S)-2-(cyclopropylmethyl)-7-(methylamino)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 99728167
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide
CID 91922760
(6S)-1-acetyl-4-(2-imidazol-1-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125003753
1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 144507524
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide
CID 46988594
2-(2-cyclopentyl-2-oxoethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 104751304
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155880393) is 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(Cn1ccnc1)N1CCn2c(nn(CC3CC3)c2=O)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is GATYLUFWOJBUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c21-13(9-17-4-3-15-10-17)18-5-6-19-12(8-18)16-20(14(19)22)7-11-1-2-11/h3-4,10-11H,1-2,5-9H2.
What are the key properties of 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 302.34 g/mol, XLogP of -0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155880393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).