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

C6H14Cl2N4 — CID 155970867

IUPAC(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
SMILESCC[C@@H](N)c1n[nH]c(C)n1.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-3-5(7)6-8-4(2)9-10-6;;/h5H,3,7H2,1-2H3,(H,8,9,10);2*1H/t5-;;/m1../s1
InChIKeyDORUQARZQMPLQG-ZJIMSODOSA-N
MW213.11 g/mol
LogP1.37
Rot. Bonds2

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

(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride (PubChem CID 155970867) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
PubChem CID155970867
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC Name(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
SMILESCC[C@@H](N)c1n[nH]c(C)n1.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-3-5(7)6-8-4(2)9-10-6;;/h5H,3,7H2,1-2H3,(H,8,9,10);2*1H/t5-;;/m1../s1
InChIKeyDORUQARZQMPLQG-ZJIMSODOSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
The IUPAC name of (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride (CID 155970867) is (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride is CC[C@@H](N)c1n[nH]c(C)n1.Cl.Cl.
What is the InChIKey of (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
The InChIKey is DORUQARZQMPLQG-ZJIMSODOSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-3-5(7)6-8-4(2)9-10-6;;/h5H,3,7H2,1-2H3,(H,8,9,10);2*1H/t5-;;/m1../s1.
What are the key properties of (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride?
(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 155970867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).