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

C8H9N5 — CID 134400321

IUPAC2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
SMILESCc1ncc(-c2ncn(C)n2)cn1
InChIInChI=1S/C8H9N5/c1-6-9-3-7(4-10-6)8-11-5-13(2)12-8/h3-5H,1-2H3
InChIKeyDNBZNPQLJUXPPT-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.58
Rot. Bonds1

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

2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine (PubChem CID 134400321) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
PubChem CID134400321
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
SMILESCc1ncc(-c2ncn(C)n2)cn1
InChIInChI=1S/C8H9N5/c1-6-9-3-7(4-10-6)8-11-5-13(2)12-8/h3-5H,1-2H3
InChIKeyDNBZNPQLJUXPPT-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
The IUPAC name of 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine (CID 134400321) is 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine.
What is the SMILES notation for 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
The canonical SMILES for 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine is Cc1ncc(-c2ncn(C)n2)cn1.
What is the InChIKey of 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
The InChIKey is DNBZNPQLJUXPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-9-3-7(4-10-6)8-11-5-13(2)12-8/h3-5H,1-2H3.
What are the key properties of 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine?
2-methyl-5-(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 2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine is sourced from PubChem (CID 134400321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).