3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride

C6H14Cl2N4 — CID 122423937

IUPAC3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride
SMILESCc1n[nH]nc1CCCN.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-5-6(3-2-4-7)9-10-8-5;;/h2-4,7H2,1H3,(H,8,9,10);2*1H
InChIKeyABMGLGAHBAHRRT-UHFFFAOYSA-N
MW213.11 g/mol
LogP0.85
Rot. Bonds3

About 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride

3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride (PubChem CID 122423937) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride
PubChem CID122423937
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC Name3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride
SMILESCc1n[nH]nc1CCCN.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-5-6(3-2-4-7)9-10-8-5;;/h2-4,7H2,1H3,(H,8,9,10);2*1H
InChIKeyABMGLGAHBAHRRT-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride (CID 122423937) is 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride is Cc1n[nH]nc1CCCN.Cl.Cl.
What is the InChIKey of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride?
The InChIKey is ABMGLGAHBAHRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-5-6(3-2-4-7)9-10-8-5;;/h2-4,7H2,1H3,(H,8,9,10);2*1H.
What are the key properties of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride?
3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2H-triazol-4-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 122423937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).