1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine

C9H16N4 — CID 126569118

IUPAC1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.Cn1cncn1
InChIInChI=1S/C6H11N.C3H5N3/c1-3-5-7-6-4-2;1-6-3-4-2-5-6/h3-4,7H,1-2,5-6H2;2-3H,1H3
InChIKeyJYPMXRFGMGBDTI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds4

About 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine

1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine (PubChem CID 126569118) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine
PubChem CID126569118
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.Cn1cncn1
InChIInChI=1S/C6H11N.C3H5N3/c1-3-5-7-6-4-2;1-6-3-4-2-5-6/h3-4,7H,1-2,5-6H2;2-3H,1H3
InChIKeyJYPMXRFGMGBDTI-UHFFFAOYSA-N
XLogP0.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-prop-2-enyl-N-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
CID 13325786
N-prop-2-enyl-1,2,4-triazol-1-amine
CID 68930656
N-prop-2-enyl-1,2,4-triazol-4-amine
CID 70290149
1-(1,2,4-Triazol-1-yl)prop-2-en-1-amine
CID 70401313
3-(1,2,4-Triazol-1-yl)prop-2-en-1-amine
CID 70453971
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
N-ethylethanamine;1-methyl-1,2,4-triazole
CID 130421556
N-butylbutan-1-amine;1-methyl-1,2,4-triazole
CID 130421557
1-methyl-1,2,4-triazole;N-propylpropan-1-amine
CID 130421562
N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine
CID 130455126
(Z)-N-methyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-amine
CID 173908709
N-prop-2-enyl-2-(1,2,4-triazol-1-yl)propan-1-amine
CID 62563308

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine (CID 126569118) is 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.Cn1cncn1.
What is the InChIKey of 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is JYPMXRFGMGBDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C3H5N3/c1-3-5-7-6-4-2;1-6-3-4-2-5-6/h3-4,7H,1-2,5-6H2;2-3H,1H3.
What are the key properties of 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine?
1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,4-triazole;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 126569118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).