(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride

C6H13ClN4 — CID 155858601

IUPAC(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1cn(C)nn1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-3-5(7)6-4-10(2)9-8-6;/h4-5H,3,7H2,1-2H3;1H/t5-;/m0./s1
InChIKeyDGICPSDRIWRCCX-JEDNCBNOSA-N
MW176.65 g/mol
LogP0.65
Rot. Bonds2

About (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride

(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride (PubChem CID 155858601) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
PubChem CID155858601
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1cn(C)nn1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-3-5(7)6-4-10(2)9-8-6;/h4-5H,3,7H2,1-2H3;1H/t5-;/m0./s1
InChIKeyDGICPSDRIWRCCX-JEDNCBNOSA-N
XLogP0.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride (CID 155858601) is (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride is CC[C@H](N)c1cn(C)nn1.Cl.
What is the InChIKey of (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride?
The InChIKey is DGICPSDRIWRCCX-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-3-5(7)6-4-10(2)9-8-6;/h4-5H,3,7H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride?
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 155858601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).