2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C16H17N5O2 — CID 155536512

IUPAC2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1Cc1c(C2CC2)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C16H17N5O2/c1-23-12-5-3-2-4-10(12)8-11-13(9-6-7-9)18-16-19-15(17)20-21(16)14(11)22/h2-5,9H,6-8H2,1H3,(H3,17,18,19,20)
InChIKeyYTYCWZSSJXJCRU-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155536512) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155536512
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1Cc1c(C2CC2)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C16H17N5O2/c1-23-12-5-3-2-4-10(12)8-11-13(9-6-7-9)18-16-19-15(17)20-21(16)14(11)22/h2-5,9H,6-8H2,1H3,(H3,17,18,19,20)
InChIKeyYTYCWZSSJXJCRU-UHFFFAOYSA-N
XLogP1.48
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxybenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 666620
2-[(2-methoxybenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 666933
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
2-[(4-methoxybenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 1970334
2-amino-5-cyclopropyl-6-[(4-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155527193
2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155545321
N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide
CID 661869
N-(6-benzyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
CID 7342962
4-[2-(4-Fluorophenyl)ethyl]-5-hydroxy-3-(4-methoxyphenyl)pyrazole-1-carboxamidine
CID 90154062
2-{[(2-Methoxyphenyl)methyl]amino}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-B]quinazolin-9-one
CID 23610713
2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53390055
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide
CID 930150

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155536512) is 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccccc1Cc1c(C2CC2)nc2nc(N)[nH]n2c1=O.
What is the InChIKey of 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YTYCWZSSJXJCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-12-5-3-2-4-10(12)8-11-13(9-6-7-9)18-16-19-15(17)20-21(16)14(11)22/h2-5,9H,6-8H2,1H3,(H3,17,18,19,20).
What are the key properties of 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 311.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-6-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155536512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).