N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine

C6H12N4 — CID 96637204

IUPACN-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine
SMILESCCNCc1n[nH]nc1C
InChIInChI=1S/C6H12N4/c1-3-7-4-6-5(2)8-10-9-6/h7H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyXYSFLWOLTCASEW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.22
Rot. Bonds3

About N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine

N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine (PubChem CID 96637204) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine
PubChem CID96637204
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine
SMILESCCNCc1n[nH]nc1C
InChIInChI=1S/C6H12N4/c1-3-7-4-6-5(2)8-10-9-6/h7H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyXYSFLWOLTCASEW-UHFFFAOYSA-N
XLogP0.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine (CID 96637204) is N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine is CCNCc1n[nH]nc1C.
What is the InChIKey of N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine?
The InChIKey is XYSFLWOLTCASEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-7-4-6-5(2)8-10-9-6/h7H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine?
N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine has a molecular weight of 140.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2H-triazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 96637204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).