2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid

C14H17N5O4 — CID 120548477

IUPAC2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1ccnc2nc(C(=O)NC(C(=O)O)C3CCCOC3)nn12
InChIInChI=1S/C14H17N5O4/c1-8-4-5-15-14-17-11(18-19(8)14)12(20)16-10(13(21)22)9-3-2-6-23-7-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,16,20)(H,21,22)
InChIKeyCRYCFHMPPJFXLO-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.04
Rot. Bonds4

About 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid

2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548477) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548477
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1ccnc2nc(C(=O)NC(C(=O)O)C3CCCOC3)nn12
InChIInChI=1S/C14H17N5O4/c1-8-4-5-15-14-17-11(18-19(8)14)12(20)16-10(13(21)22)9-3-2-6-23-7-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,16,20)(H,21,22)
InChIKeyCRYCFHMPPJFXLO-UHFFFAOYSA-N
XLogP0.04
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid with MolForge

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Related Compounds

N-[(S)-cyclohexyl(phenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 39594944
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548589
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18150434
2-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548037
2-[[1-(3-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547998
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548646
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 43630919
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548251
(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467997
2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120690229

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid (CID 120548477) is 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid is Cc1ccnc2nc(C(=O)NC(C(=O)O)C3CCCOC3)nn12.
What is the InChIKey of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is CRYCFHMPPJFXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-8-4-5-15-14-17-11(18-19(8)14)12(20)16-10(13(21)22)9-3-2-6-23-7-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,16,20)(H,21,22).
What are the key properties of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 319.32 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).