(1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride

C6H14Cl2N4 — CID 155978406

IUPAC(1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride
SMILESCC[C@@H](N)c1cnnn1C.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-3-5(7)6-4-8-9-10(6)2;;/h4-5H,3,7H2,1-2H3;2*1H/t5-;;/m1../s1
InChIKeyWGIBZFKIBTVXMS-ZJIMSODOSA-N
MW213.11 g/mol
LogP1.07
Rot. Bonds2

About (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride

(1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride (PubChem CID 155978406) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride
PubChem CID155978406
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC Name(1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride
SMILESCC[C@@H](N)c1cnnn1C.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-3-5(7)6-4-8-9-10(6)2;;/h4-5H,3,7H2,1-2H3;2*1H/t5-;;/m1../s1
InChIKeyWGIBZFKIBTVXMS-ZJIMSODOSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride?
The IUPAC name of (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride (CID 155978406) is (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride is CC[C@@H](N)c1cnnn1C.Cl.Cl.
What is the InChIKey of (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride?
The InChIKey is WGIBZFKIBTVXMS-ZJIMSODOSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-3-5(7)6-4-8-9-10(6)2;;/h4-5H,3,7H2,1-2H3;2*1H/t5-;;/m1../s1.
What are the key properties of (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride?
(1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methyltriazol-4-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 155978406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).