3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine

C15H19ClN4 — CID 63332450

IUPAC3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCn1cnnc1CCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN4/c1-20-10-18-19-15(20)6-7-17-14-8-12(9-14)11-2-4-13(16)5-3-11/h2-5,10,12,14,17H,6-9H2,1H3
InChIKeyZFALZKUQDOHZOS-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.55
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine

3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 63332450) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
PubChem CID63332450
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCn1cnnc1CCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN4/c1-20-10-18-19-15(20)6-7-17-14-8-12(9-14)11-2-4-13(16)5-3-11/h2-5,10,12,14,17H,6-9H2,1H3
InChIKeyZFALZKUQDOHZOS-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine (CID 63332450) is 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine is Cn1cnnc1CCNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is ZFALZKUQDOHZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-20-10-18-19-15(20)6-7-17-14-8-12(9-14)11-2-4-13(16)5-3-11/h2-5,10,12,14,17H,6-9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 290.80 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 63332450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).