2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine

C12H15ClN4 — CID 63276507

IUPAC2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C12H15ClN4/c1-2-5-11-15-12(14)17(16-11)8-9-6-3-4-7-10(9)13/h3-4,6-7H,2,5,8H2,1H3,(H2,14,15,16)
InChIKeyLYLVRMOZFCQGQR-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.51
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine

2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine (PubChem CID 63276507) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
PubChem CID63276507
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C12H15ClN4/c1-2-5-11-15-12(14)17(16-11)8-9-6-3-4-7-10(9)13/h3-4,6-7H,2,5,8H2,1H3,(H2,14,15,16)
InChIKeyLYLVRMOZFCQGQR-UHFFFAOYSA-N
XLogP2.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine (CID 63276507) is 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine is CCCc1nc(N)n(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
The InChIKey is LYLVRMOZFCQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-5-11-15-12(14)17(16-11)8-9-6-3-4-7-10(9)13/h3-4,6-7H,2,5,8H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine?
2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine has a molecular weight of 250.73 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63276507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).