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

C11H13ClN4 — CID 63385375

IUPAC4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine
SMILESCC(C)c1nnc(Cl)n1Cc1ccncc1
InChIInChI=1S/C11H13ClN4/c1-8(2)10-14-15-11(12)16(10)7-9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyURHVQCOIALWRAV-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.50
Rot. Bonds3

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

4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine (PubChem CID 63385375) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine
PubChem CID63385375
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine
SMILESCC(C)c1nnc(Cl)n1Cc1ccncc1
InChIInChI=1S/C11H13ClN4/c1-8(2)10-14-15-11(12)16(10)7-9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyURHVQCOIALWRAV-UHFFFAOYSA-N
XLogP2.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine?
The IUPAC name of 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine (CID 63385375) is 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine.
What is the SMILES notation for 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine?
The canonical SMILES for 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine is CC(C)c1nnc(Cl)n1Cc1ccncc1.
What is the InChIKey of 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine?
The InChIKey is URHVQCOIALWRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8(2)10-14-15-11(12)16(10)7-9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine?
4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine has a molecular weight of 236.71 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)methyl]pyridine is sourced from PubChem (CID 63385375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).