2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

C7H14Cl2N4 — CID 50988419

IUPAC2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nncn1C1CC1
InChIInChI=1S/C7H12N4.2ClH/c8-4-3-7-10-9-5-11(7)6-1-2-6;;/h5-6H,1-4,8H2;2*1H
InChIKeyIPGZFQPBZYILPA-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.96
Rot. Bonds3

About 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (PubChem CID 50988419) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
PubChem CID50988419
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nncn1C1CC1
InChIInChI=1S/C7H12N4.2ClH/c8-4-3-7-10-9-5-11(7)6-1-2-6;;/h5-6H,1-4,8H2;2*1H
InChIKeyIPGZFQPBZYILPA-UHFFFAOYSA-N
XLogP0.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride 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

alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16767398
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride
CID 44118466
2-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 47000736
(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 50988294
2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988341
(4-cyclopropyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 50988414
2-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)ethan-1-amine dihydrochloride
CID 53613697
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine hydrochloride
CID 71755778
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 71758273
1-(1-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 75470322

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (CID 50988419) is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1nncn1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is IPGZFQPBZYILPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c8-4-3-7-10-9-5-11(7)6-1-2-6;;/h5-6H,1-4,8H2;2*1H.
What are the key properties of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 50988419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).