4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine

C10H12N4 — CID 18726727

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCc1nnc(Cc2ccncc2)n1C
InChIInChI=1S/C10H12N4/c1-8-12-13-10(14(8)2)7-9-3-5-11-6-4-9/h3-6H,7H2,1-2H3
InChIKeyROHQIDMFBRCLRP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.11
Rot. Bonds2

About 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine (PubChem CID 18726727) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine
PubChem CID18726727
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCc1nnc(Cc2ccncc2)n1C
InChIInChI=1S/C10H12N4/c1-8-12-13-10(14(8)2)7-9-3-5-11-6-4-9/h3-6H,7H2,1-2H3
InChIKeyROHQIDMFBRCLRP-UHFFFAOYSA-N
XLogP1.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine (CID 18726727) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine is Cc1nnc(Cc2ccncc2)n1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine?
The InChIKey is ROHQIDMFBRCLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-12-13-10(14(8)2)7-9-3-5-11-6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine has a molecular weight of 188.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine is sourced from PubChem (CID 18726727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).