2-(1-methyltriazol-4-yl)ethanamine

C5H10N4 — CID 62757243

IUPAC2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CCN)nn1
InChIInChI=1S/C5H10N4/c1-9-4-5(2-3-6)7-8-9/h4H,2-3,6H2,1H3
InChIKeyFTILWFNDSQHZBI-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.68
Rot. Bonds2

About 2-(1-methyltriazol-4-yl)ethanamine

2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 62757243) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)ethanamine
PubChem CID62757243
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CCN)nn1
InChIInChI=1S/C5H10N4/c1-9-4-5(2-3-6)7-8-9/h4H,2-3,6H2,1H3
InChIKeyFTILWFNDSQHZBI-UHFFFAOYSA-N
XLogP-0.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
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
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetonitrile
CID 68122379
(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 69061589
2-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 83635332
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
CID 122156619
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
CID 155545712
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-methyltriazol-4-yl)ethanamine (CID 62757243) is 2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-methyltriazol-4-yl)ethanamine is Cn1cc(CCN)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is FTILWFNDSQHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-9-4-5(2-3-6)7-8-9/h4H,2-3,6H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)ethanamine?
2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 62757243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).