3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole

C16H14ClN3 — CID 63385204

IUPAC3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole
SMILESClc1nnc(C2CC2)n1Cc1cccc2ccccc12
InChIInChI=1S/C16H14ClN3/c17-16-19-18-15(12-8-9-12)20(16)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-7,12H,8-10H2
InChIKeyZLTJJOITZBXOAP-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.01
Rot. Bonds3

About 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole

3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole (PubChem CID 63385204) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole
PubChem CID63385204
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole
SMILESClc1nnc(C2CC2)n1Cc1cccc2ccccc12
InChIInChI=1S/C16H14ClN3/c17-16-19-18-15(12-8-9-12)20(16)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-7,12H,8-10H2
InChIKeyZLTJJOITZBXOAP-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole (CID 63385204) is 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole is Clc1nnc(C2CC2)n1Cc1cccc2ccccc12.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole?
The InChIKey is ZLTJJOITZBXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-16-19-18-15(12-8-9-12)20(16)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-7,12H,8-10H2.
What are the key properties of 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole has a molecular weight of 283.76 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 63385204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).