2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid

C12H14N6O2 — CID 167908959

IUPAC2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid
SMILESCn1nc(C2CC2)nc1CNc1ncc(C(=O)O)cn1
InChIInChI=1S/C12H14N6O2/c1-18-9(16-10(17-18)7-2-3-7)6-15-12-13-4-8(5-14-12)11(19)20/h4-5,7H,2-3,6H2,1H3,(H,19,20)(H,13,14,15)
InChIKeyBRFRTRLVTNVPII-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.79
Rot. Bonds5

About 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid

2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid (PubChem CID 167908959) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid
PubChem CID167908959
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid
SMILESCn1nc(C2CC2)nc1CNc1ncc(C(=O)O)cn1
InChIInChI=1S/C12H14N6O2/c1-18-9(16-10(17-18)7-2-3-7)6-15-12-13-4-8(5-14-12)11(19)20/h4-5,7H,2-3,6H2,1H3,(H,19,20)(H,13,14,15)
InChIKeyBRFRTRLVTNVPII-UHFFFAOYSA-N
XLogP0.79
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]amino]methyl]-3-fluorobenzoic acid
CID 138032529
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62720716
1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-3-[[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]methyl]urea
CID 166316275
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62941672
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-[(3,5-dichloro-2-pyridinyl)oxy]aniline
CID 126842161
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65402805
2-[3-(2-methyl-1,2,4-triazol-3-yl)propylamino]pyrimidine-5-carboxylic acid
CID 167989741
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 167752647
2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 55111659
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62943913

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid (CID 167908959) is 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid is Cn1nc(C2CC2)nc1CNc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is BRFRTRLVTNVPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-18-9(16-10(17-18)7-2-3-7)6-15-12-13-4-8(5-14-12)11(19)20/h4-5,7H,2-3,6H2,1H3,(H,19,20)(H,13,14,15).
What are the key properties of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid?
2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 167908959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).