(1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride

C5H12Cl2N4 — CID 167740720

IUPAC(1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
SMILESC[C@@H](N)c1cnnn1C.Cl.Cl
InChIInChI=1S/C5H10N4.2ClH/c1-4(6)5-3-7-8-9(5)2;;/h3-4H,6H2,1-2H3;2*1H/t4-;;/m1../s1
InChIKeyKRLMBSVMEGSFKH-RZFWHQLPSA-N
MW199.09 g/mol
LogP0.68
Rot. Bonds1

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

(1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride (PubChem CID 167740720) has the molecular formula C5H12Cl2N4 and a molecular weight of 199.09 g/mol. Its IUPAC name is (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
PubChem CID167740720
Molecular FormulaC5H12Cl2N4
Molecular Weight199.09 g/mol
Exact Mass198.04
IUPAC Name(1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
SMILESC[C@@H](N)c1cnnn1C.Cl.Cl
InChIInChI=1S/C5H10N4.2ClH/c1-4(6)5-3-7-8-9(5)2;;/h3-4H,6H2,1-2H3;2*1H/t4-;;/m1../s1
InChIKeyKRLMBSVMEGSFKH-RZFWHQLPSA-N
XLogP0.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 62757243
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 59155120
2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]propan-2-amine
CID 64003978
(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 69061589
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
2-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 83635332
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CID 110209505
1-(1H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride
CID 118497027
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376
1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 119031929

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride (CID 167740720) is (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride is C[C@@H](N)c1cnnn1C.Cl.Cl.
What is the InChIKey of (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is KRLMBSVMEGSFKH-RZFWHQLPSA-N. The full InChI is InChI=1S/C5H10N4.2ClH/c1-4(6)5-3-7-8-9(5)2;;/h3-4H,6H2,1-2H3;2*1H/t4-;;/m1../s1.
What are the key properties of (1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride?
(1R)-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 199.09 g/mol, XLogP of 0.68, 1 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)ethanamine;dihydrochloride is sourced from PubChem (CID 167740720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).