N-methyl-2-(1,2,4-triazol-1-yl)ethanamine

C5H10N4 — CID 22277815

IUPACN-methyl-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCNCCn1cncn1
InChIInChI=1S/C5H10N4/c1-6-2-3-9-5-7-4-8-9/h4-6H,2-3H2,1H3
InChIKeyQYKFTPPMTMAAEJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.50
Rot. Bonds3

About N-methyl-2-(1,2,4-triazol-1-yl)ethanamine

N-methyl-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 22277815) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-methyl-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID22277815
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-methyl-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCNCCn1cncn1
InChIInChI=1S/C5H10N4/c1-6-2-3-9-5-7-4-8-9/h4-6H,2-3H2,1H3
InChIKeyQYKFTPPMTMAAEJ-UHFFFAOYSA-N
XLogP-0.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(1,2,4-triazol-1-yl)ethanamine (CID 22277815) is N-methyl-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1,2,4-triazol-1-yl)ethanamine is CNCCn1cncn1.
What is the InChIKey of N-methyl-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is QYKFTPPMTMAAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-6-2-3-9-5-7-4-8-9/h4-6H,2-3H2,1H3.
What are the key properties of N-methyl-2-(1,2,4-triazol-1-yl)ethanamine?
N-methyl-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 22277815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).