2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C16H17N5O2 — CID 155545321

IUPAC2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(Cc2c(C3CC3)nc3nc(N)[nH]n3c2=O)c1
InChIInChI=1S/C16H17N5O2/c1-23-11-4-2-3-9(7-11)8-12-13(10-5-6-10)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,10H,5-6,8H2,1H3,(H3,17,18,19,20)
InChIKeyGPTMWEUDRCZRPM-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155545321) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155545321
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(Cc2c(C3CC3)nc3nc(N)[nH]n3c2=O)c1
InChIInChI=1S/C16H17N5O2/c1-23-11-4-2-3-9(7-11)8-12-13(10-5-6-10)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,10H,5-6,8H2,1H3,(H3,17,18,19,20)
InChIKeyGPTMWEUDRCZRPM-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 ≤ 500311.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-benzyl-5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1851938
2-[(4-methoxybenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 1970334
N-(7-hydroxy-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide
CID 6485785
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-[(2-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155536512
3-methoxy-N-(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 6485799
US10975084, Example 11-46
CID 134439460
2-[(3-methoxybenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 2027658
N-{6-Benzyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}-3-methoxybenzamide
CID 6485794
3-(4-Fluorophenyl)-5-hydroxy-4-[(3-methoxyphenyl)methyl]pyrazole-1-carboxamidine
CID 90154051

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155545321) is 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1cccc(Cc2c(C3CC3)nc3nc(N)[nH]n3c2=O)c1.
What is the InChIKey of 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GPTMWEUDRCZRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-11-4-2-3-9(7-11)8-12-13(10-5-6-10)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,10H,5-6,8H2,1H3,(H3,17,18,19,20).
What are the key properties of 2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-cyclopropyl-6-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 311.35 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-[(3-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155545321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).