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

C9H9N5O3 — CID 43354509

IUPAC2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
SMILESCc1ccnc2nc(C(=O)NCC(=O)O)nn12
InChIInChI=1S/C9H9N5O3/c1-5-2-3-10-9-12-7(13-14(5)9)8(17)11-4-6(15)16/h2-3H,4H2,1H3,(H,11,17)(H,15,16)
InChIKeyIEMDQJIMAVSDOG-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.75
Rot. Bonds3

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

2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid (PubChem CID 43354509) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
PubChem CID43354509
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
SMILESCc1ccnc2nc(C(=O)NCC(=O)O)nn12
InChIInChI=1S/C9H9N5O3/c1-5-2-3-10-9-12-7(13-14(5)9)8(17)11-4-6(15)16/h2-3H,4H2,1H3,(H,11,17)(H,15,16)
InChIKeyIEMDQJIMAVSDOG-UHFFFAOYSA-N
XLogP-0.75
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074
4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 82009827
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293
N-[(1-hydroxycyclobutyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115643395
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
N'-benzoyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251513
7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51275569
7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115699548

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid (CID 43354509) is 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid is Cc1ccnc2nc(C(=O)NCC(=O)O)nn12.
What is the InChIKey of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid?
The InChIKey is IEMDQJIMAVSDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-5-2-3-10-9-12-7(13-14(5)9)8(17)11-4-6(15)16/h2-3H,4H2,1H3,(H,11,17)(H,15,16).
What are the key properties of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid?
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid has a molecular weight of 235.20 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]acetic acid is sourced from PubChem (CID 43354509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).