(2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid

C13H17N5O3 — CID 61173085

IUPAC(2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)O
InChIInChI=1S/C13H17N5O3/c1-4-7(2)9(12(20)21)15-11(19)10-16-13-14-6-5-8(3)18(13)17-10/h5-7,9H,4H2,1-3H3,(H,15,19)(H,20,21)/t7?,9-/m0/s1
InChIKeyMQOMUHMWGDRPPS-NETXQHHPSA-N
MW291.31 g/mol
LogP0.66
Rot. Bonds5

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

(2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid (PubChem CID 61173085) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
PubChem CID61173085
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name(2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)O
InChIInChI=1S/C13H17N5O3/c1-4-7(2)9(12(20)21)15-11(19)10-16-13-14-6-5-8(3)18(13)17-10/h5-7,9H,4H2,1-3H3,(H,15,19)(H,20,21)/t7?,9-/m0/s1
InChIKeyMQOMUHMWGDRPPS-NETXQHHPSA-N
XLogP0.66
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S,3S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylpentanoic acid
CID 119193998
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 43630919
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71999055
N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251513
[(2S)-1-methoxy-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 40815135
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548477
N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60548455
N-[(S)-cyclohexyl(phenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 39594944
N-[4-(4-ethoxyphenoxy)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8873482
1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351150
N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78840756

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid (CID 61173085) is (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid is CCC(C)[C@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid?
The InChIKey is MQOMUHMWGDRPPS-NETXQHHPSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-7(2)9(12(20)21)15-11(19)10-16-13-14-6-5-8(3)18(13)17-10/h5-7,9H,4H2,1-3H3,(H,15,19)(H,20,21)/t7?,9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid?
(2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61173085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).