2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid

C12H16N6O3 — CID 115288116

IUPAC2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid
SMILESCCCc1nc(C(=O)NC(C(=O)O)c2cnn(C)c2)n[nH]1
InChIInChI=1S/C12H16N6O3/c1-3-4-8-14-10(17-16-8)11(19)15-9(12(20)21)7-5-13-18(2)6-7/h5-6,9H,3-4H2,1-2H3,(H,15,19)(H,20,21)(H,14,16,17)
InChIKeyTVAQJWJKMLEMSM-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.05
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid

2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid (PubChem CID 115288116) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid
PubChem CID115288116
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid
SMILESCCCc1nc(C(=O)NC(C(=O)O)c2cnn(C)c2)n[nH]1
InChIInChI=1S/C12H16N6O3/c1-3-4-8-14-10(17-16-8)11(19)15-9(12(20)21)7-5-13-18(2)6-7/h5-6,9H,3-4H2,1-2H3,(H,15,19)(H,20,21)(H,14,16,17)
InChIKeyTVAQJWJKMLEMSM-UHFFFAOYSA-N
XLogP0.05
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287982
2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283992
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288223
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279611
2-(butan-2-ylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279679
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288199
2-[(4-ethylpiperazine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289072
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288700
2-[[4-(aminomethyl)benzoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288689

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid (CID 115288116) is 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid is CCCc1nc(C(=O)NC(C(=O)O)c2cnn(C)c2)n[nH]1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid?
The InChIKey is TVAQJWJKMLEMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-3-4-8-14-10(17-16-8)11(19)15-9(12(20)21)7-5-13-18(2)6-7/h5-6,9H,3-4H2,1-2H3,(H,15,19)(H,20,21)(H,14,16,17).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid?
2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid has a molecular weight of 292.30 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 115288116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).