5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine

C8H9N5 — CID 134400324

IUPAC5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
SMILESCc1cnc(-c2ncn(C)n2)nc1
InChIInChI=1S/C8H9N5/c1-6-3-9-7(10-4-6)8-11-5-13(2)12-8/h3-5H,1-2H3
InChIKeyMCQICYFPMVUKTO-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.58
Rot. Bonds1

About 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine

5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine (PubChem CID 134400324) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
PubChem CID134400324
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
SMILESCc1cnc(-c2ncn(C)n2)nc1
InChIInChI=1S/C8H9N5/c1-6-3-9-7(10-4-6)8-11-5-13(2)12-8/h3-5H,1-2H3
InChIKeyMCQICYFPMVUKTO-UHFFFAOYSA-N
XLogP0.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
CID 134400321
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine
CID 143851802
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 143851892
3-(2,6-dimethylphenyl)-1-methyl-1,2,4-triazole
CID 163359506
1,3-dimethyl-1,2,4-triazole;ethane
CID 142553171
3-(4-chlorothiophen-3-yl)-1-methyl-1,2,4-triazole
CID 175704116
1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
CID 130298551
5-methyl-4-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carbaldehyde
CID 96616773
3-(4-bromophenyl)-1-methyl-1,2,4-triazole
CID 58371841
1-methyl-3-(2,4,6-trichlorophenyl)-1,2,4-triazole
CID 163359460
2-methyl-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064781
3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 144979256

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
The IUPAC name of 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine (CID 134400324) is 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine.
What is the SMILES notation for 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
The canonical SMILES for 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine is Cc1cnc(-c2ncn(C)n2)nc1.
What is the InChIKey of 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
The InChIKey is MCQICYFPMVUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-3-9-7(10-4-6)8-11-5-13(2)12-8/h3-5H,1-2H3.
What are the key properties of 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine has a molecular weight of 175.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine is sourced from PubChem (CID 134400324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).