3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine

C10H12ClN5 — CID 146673450

IUPAC3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESC[C@@H](Nc1n[nH]c(N)n1)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClN5/c1-6(7-3-2-4-8(11)5-7)13-10-14-9(12)15-16-10/h2-6H,1H3,(H4,12,13,14,15,16)/t6-/m1/s1
InChIKeyILSMPGQEWIYWII-ZCFIWIBFSA-N
MW237.69 g/mol
LogP2.21
Rot. Bonds3

About 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 146673450) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID146673450
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESC[C@@H](Nc1n[nH]c(N)n1)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClN5/c1-6(7-3-2-4-8(11)5-7)13-10-14-9(12)15-16-10/h2-6H,1H3,(H4,12,13,14,15,16)/t6-/m1/s1
InChIKeyILSMPGQEWIYWII-ZCFIWIBFSA-N
XLogP2.21
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine 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

N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide
CID 66275396
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359303
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one
CID 135419221
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275154
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine (CID 146673450) is 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine is C[C@@H](Nc1n[nH]c(N)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is ILSMPGQEWIYWII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-6(7-3-2-4-8(11)5-7)13-10-14-9(12)15-16-10/h2-6H,1H3,(H4,12,13,14,15,16)/t6-/m1/s1.
What are the key properties of 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 237.69 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 146673450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).