(1S)-1-(3-methyltriazol-4-yl)ethanamine

C5H10N4 — CID 122163653

IUPAC(1S)-1-(3-methyltriazol-4-yl)ethanamine
SMILESC[C@H](N)c1cnnn1C
InChIInChI=1S/C5H10N4/c1-4(6)5-3-7-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m0/s1
InChIKeyAERFFVLJKPEURK-BYPYZUCNSA-N
MW126.16 g/mol
LogP-0.17
Rot. Bonds1

About (1S)-1-(3-methyltriazol-4-yl)ethanamine

(1S)-1-(3-methyltriazol-4-yl)ethanamine (PubChem CID 122163653) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (1S)-1-(3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methyltriazol-4-yl)ethanamine
PubChem CID122163653
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(1S)-1-(3-methyltriazol-4-yl)ethanamine
SMILESC[C@H](N)c1cnnn1C
InChIInChI=1S/C5H10N4/c1-4(6)5-3-7-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m0/s1
InChIKeyAERFFVLJKPEURK-BYPYZUCNSA-N
XLogP-0.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.17
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
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methyltriazol-4-yl)ethanamine?
The IUPAC name of (1S)-1-(3-methyltriazol-4-yl)ethanamine (CID 122163653) is (1S)-1-(3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-methyltriazol-4-yl)ethanamine is C[C@H](N)c1cnnn1C.
What is the InChIKey of (1S)-1-(3-methyltriazol-4-yl)ethanamine?
The InChIKey is AERFFVLJKPEURK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N4/c1-4(6)5-3-7-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-(3-methyltriazol-4-yl)ethanamine?
(1S)-1-(3-methyltriazol-4-yl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 122163653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).