2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine

C12H15ClN4 — CID 63385592

IUPAC2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine
SMILESCCCc1nnc(Cl)n1Cc1ncccc1C
InChIInChI=1S/C12H15ClN4/c1-3-5-11-15-16-12(13)17(11)8-10-9(2)6-4-7-14-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyBDHCGBCFHCOPAN-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.64
Rot. Bonds4

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

2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine (PubChem CID 63385592) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine
PubChem CID63385592
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine
SMILESCCCc1nnc(Cl)n1Cc1ncccc1C
InChIInChI=1S/C12H15ClN4/c1-3-5-11-15-16-12(13)17(11)8-10-9(2)6-4-7-14-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyBDHCGBCFHCOPAN-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine?
The IUPAC name of 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine (CID 63385592) is 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine.
What is the SMILES notation for 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine?
The canonical SMILES for 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine is CCCc1nnc(Cl)n1Cc1ncccc1C.
What is the InChIKey of 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine?
The InChIKey is BDHCGBCFHCOPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-3-5-11-15-16-12(13)17(11)8-10-9(2)6-4-7-14-10/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine?
2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine has a molecular weight of 250.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-propyl-1,2,4-triazol-4-yl)methyl]-3-methylpyridine is sourced from PubChem (CID 63385592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).