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

C17H15ClN4 — CID 59216151

IUPAC3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2ccncc2Cl)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C17H15ClN4/c1-22-15(13-7-10-19-11-14(13)18)20-21-16(22)17(8-9-17)12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3
InChIKeyYSIPWCPCPGFPRG-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.61
Rot. Bonds3

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

3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 59216151) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID59216151
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2ccncc2Cl)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C17H15ClN4/c1-22-15(13-7-10-19-11-14(13)18)20-21-16(22)17(8-9-17)12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3
InChIKeyYSIPWCPCPGFPRG-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine (CID 59216151) is 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine is Cn1c(-c2ccncc2Cl)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is YSIPWCPCPGFPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-22-15(13-7-10-19-11-14(13)18)20-21-16(22)17(8-9-17)12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine?
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 310.79 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 59216151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).