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

C15H17N7O3 — CID 120698142

IUPAC2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NCc3cn(CC(=O)O)nn3)c2n1
InChIInChI=1S/C15H17N7O3/c1-8-4-9(2)22-14(17-8)13(10(3)19-22)15(25)16-5-11-6-21(20-18-11)7-12(23)24/h4,6H,5,7H2,1-3H3,(H,16,25)(H,23,24)
InChIKeyUBXHBPWCYLAMFP-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.26
Rot. Bonds5

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

2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698142) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698142
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NCc3cn(CC(=O)O)nn3)c2n1
InChIInChI=1S/C15H17N7O3/c1-8-4-9(2)22-14(17-8)13(10(3)19-22)15(25)16-5-11-6-21(20-18-11)7-12(23)24/h4,6H,5,7H2,1-3H3,(H,16,25)(H,23,24)
InChIKeyUBXHBPWCYLAMFP-UHFFFAOYSA-N
XLogP0.26
TPSA127.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698967
2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230516
2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457511
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457393
3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119220654
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119254491
2-[4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457604
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 120831089
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698597
2-[4-[[(3-bromo-5-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 104850882

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 120698142) is 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is Cc1cc(C)n2nc(C)c(C(=O)NCc3cn(CC(=O)O)nn3)c2n1.
What is the InChIKey of 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is UBXHBPWCYLAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-8-4-9(2)22-14(17-8)13(10(3)19-22)15(25)16-5-11-6-21(20-18-11)7-12(23)24/h4,6H,5,7H2,1-3H3,(H,16,25)(H,23,24).
What are the key properties of 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 343.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).