7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C7H7N5O2 — CID 115019267

IUPAC7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C7H7N5O2/c1-8-5-2-4(6(13)14)11-7-9-3-10-12(5)7/h2-3,8H,1H3,(H,13,14)
InChIKeyQZJYXTCNCHOIQD-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.14
Rot. Bonds2

About 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 115019267) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID115019267
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C7H7N5O2/c1-8-5-2-4(6(13)14)11-7-9-3-10-12(5)7/h2-3,8H,1H3,(H,13,14)
InChIKeyQZJYXTCNCHOIQD-UHFFFAOYSA-N
XLogP-0.14
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115039333
5-cyclopropyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 131065089
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25247790
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
7-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77082076
2-ethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
CID 79806406
2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
CID 79798440
N-[(1S,2R)-2-aminocyclobutyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56906980
1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137
N-[2-(4-methylpiperidin-1-yl)propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46970474
7-[[(1S)-4-methyl-5-prop-2-enoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143342172

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 115019267) is 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is CNc1cc(C(=O)O)nc2ncnn12.
What is the InChIKey of 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is QZJYXTCNCHOIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-8-5-2-4(6(13)14)11-7-9-3-10-12(5)7/h2-3,8H,1H3,(H,13,14).
What are the key properties of 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 193.17 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115019267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).