N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine

C8H14N4 — CID 103071547

IUPACN-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNCC)Cn1cncn1
InChIInChI=1S/C8H14N4/c1-3-9-4-8(2)5-12-7-10-6-11-12/h6-7,9H,2-5H2,1H3
InChIKeyWTQNKHQAHIVOOH-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.44
Rot. Bonds5

About N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine

N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine (PubChem CID 103071547) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
PubChem CID103071547
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNCC)Cn1cncn1
InChIInChI=1S/C8H14N4/c1-3-9-4-8(2)5-12-7-10-6-11-12/h6-7,9H,2-5H2,1H3
InChIKeyWTQNKHQAHIVOOH-UHFFFAOYSA-N
XLogP0.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylprop-2-enyl)-1,2,4-triazole
CID 13133624
N-propan-2-yl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 61387138
methyl[3-(1H-1,2,4-triazol-1-yl)propyl]amine
CID 61387140
N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 61387171
1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine
CID 126569118
3-(1,2,4-Triazol-1-ylmethyl)but-3-en-1-amine
CID 156254750
2-Methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 43367686
2-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-2-amine
CID 60980738
N-propyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 61387170
N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 62447380
N-ethyl-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 62447381
2-methyl-N-propyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 62447382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine (CID 103071547) is N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine is C=C(CNCC)Cn1cncn1.
What is the InChIKey of N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is WTQNKHQAHIVOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-9-4-8(2)5-12-7-10-6-11-12/h6-7,9H,2-5H2,1H3.
What are the key properties of N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103071547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).