N-[(1-methyltriazol-4-yl)methyl]ethanamine

C6H12N4 — CID 62755740

IUPACN-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn(C)nn1
InChIInChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3
InChIKeyLOLVREZTZUWBEQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.08
Rot. Bonds3

About N-[(1-methyltriazol-4-yl)methyl]ethanamine

N-[(1-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 62755740) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]ethanamine
PubChem CID62755740
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn(C)nn1
InChIInChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3
InChIKeyLOLVREZTZUWBEQ-UHFFFAOYSA-N
XLogP-0.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]ethanamine (CID 62755740) is N-[(1-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]ethanamine is CCNCc1cn(C)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is LOLVREZTZUWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]ethanamine?
N-[(1-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 140.19 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62755740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).