3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole

C6H8ClN3 — CID 63384788

IUPAC3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1C1CC1
InChIInChI=1S/C6H8ClN3/c1-4-8-9-6(7)10(4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyODNDLPPOVASNOB-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.57
Rot. Bonds1

About 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole

3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole (PubChem CID 63384788) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole
PubChem CID63384788
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1C1CC1
InChIInChI=1S/C6H8ClN3/c1-4-8-9-6(7)10(4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyODNDLPPOVASNOB-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole (CID 63384788) is 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole is Cc1nnc(Cl)n1C1CC1.
What is the InChIKey of 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole?
The InChIKey is ODNDLPPOVASNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-4-8-9-6(7)10(4)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole?
3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole has a molecular weight of 157.60 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopropyl-5-methyl-1,2,4-triazole is sourced from PubChem (CID 63384788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).