N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C10H12N6O3 — CID 106165499

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(O)C(N)=O)cnc2ncnn12
InChIInChI=1S/C10H12N6O3/c1-5-6(2-13-10-14-4-15-16(5)10)9(19)12-3-7(17)8(11)18/h2,4,7,17H,3H2,1H3,(H2,11,18)(H,12,19)
InChIKeyXAFTWSWVYRCQFR-UHFFFAOYSA-N
MW264.24 g/mol
LogP-1.99
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 106165499) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID106165499
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(O)C(N)=O)cnc2ncnn12
InChIInChI=1S/C10H12N6O3/c1-5-6(2-13-10-14-4-15-16(5)10)9(19)12-3-7(17)8(11)18/h2,4,7,17H,3H2,1H3,(H2,11,18)(H,12,19)
InChIKeyXAFTWSWVYRCQFR-UHFFFAOYSA-N
XLogP-1.99
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 107155278
(2S)-2-hydroxy-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 107834119
3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167067
N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 106289954
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 106164845
3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 81077352
2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65217994
3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 60989689
7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428093
7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 63819418
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 106165499) is N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC(O)C(N)=O)cnc2ncnn12.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XAFTWSWVYRCQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-5-6(2-13-10-14-4-15-16(5)10)9(19)12-3-7(17)8(11)18/h2,4,7,17H,3H2,1H3,(H2,11,18)(H,12,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 264.24 g/mol, XLogP of -1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 106165499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).