3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

C19H22N6 — CID 1485885

IUPAC3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C19H22N6/c20-18-21-19(23-22-18)25-13-11-24(12-14-25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21,22,23)
InChIKeyCNMBDUACXYYBEO-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.30
Rot. Bonds4

About 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 1485885) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID1485885
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C19H22N6/c20-18-21-19(23-22-18)25-13-11-24(12-14-25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21,22,23)
InChIKeyCNMBDUACXYYBEO-UHFFFAOYSA-N
XLogP2.30
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine
CID 118165243
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 118165185
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165260
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 118165378
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 118165472
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 118165484
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-[(2-chlorophenyl)methyl]piperidin-4-amine
CID 118165709
5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine
CID 1485849
3-[4-[(2S,5S)-2,4-bis[(4-chlorophenyl)methyl]-5-methylpiperazin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 145978720
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-[(2,5-difluorophenyl)methyl]piperidin-4-amine
CID 156019897
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-tert-butylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165445

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (CID 1485885) is 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n[nH]1.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is CNMBDUACXYYBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c20-18-21-19(23-22-18)25-13-11-24(12-14-25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21,22,23).
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 334.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 1485885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).