N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine

C6H8N4 — CID 143935792

IUPACN-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
SMILESC=Nc1ncnn1C(=C)C
InChIInChI=1S/C6H8N4/c1-5(2)10-6(7-3)8-4-9-10/h4H,1,3H2,2H3
InChIKeyGYXUFKJKQKWAMR-UHFFFAOYSA-N
MW136.16 g/mol
LogP1.10
Rot. Bonds2

About N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine

N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine (PubChem CID 143935792) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
PubChem CID143935792
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
SMILESC=Nc1ncnn1C(=C)C
InChIInChI=1S/C6H8N4/c1-5(2)10-6(7-3)8-4-9-10/h4H,1,3H2,2H3
InChIKeyGYXUFKJKQKWAMR-UHFFFAOYSA-N
XLogP1.10
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine 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-isopropenyl-1,2,4-tri-azole
CID 21593524
N-isopropenyltetrazole
CID 100977926
5-Fluoro-1-prop-1-en-2-yl-1,2,4-triazole
CID 177021723
4,4-diethyl-5-methyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium
CID 19365435
1-Pent-1-en-2-yl-1,2,4-triazole
CID 20397459
3-(Dimethylamino)-2-(1,2,4-triazol-1-yl)prop-2-enenitrile
CID 53975903
N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine
CID 66716527
3-Dimethylamino-2-(1,2,4-triazol-1-yl)-acrylonitrile hydrochloride
CID 70414230
(Z)-3-(dimethylamino)-2-(1,2,4-triazol-1-yl)prop-2-enenitrile;hydrochloride
CID 70455339
1-But-2-en-2-yl-1,2,4-triazole
CID 91340309
1-Penta-2,4-dien-2-yl-1,2,4-triazole
CID 123196107
1-But-2-en-2-yltetrazole
CID 123381709

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine?
The IUPAC name of N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine (CID 143935792) is N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine.
What is the SMILES notation for N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine?
The canonical SMILES for N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine is C=Nc1ncnn1C(=C)C.
What is the InChIKey of N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine?
The InChIKey is GYXUFKJKQKWAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5(2)10-6(7-3)8-4-9-10/h4H,1,3H2,2H3.
What are the key properties of N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine?
N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine has a molecular weight of 136.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine is sourced from PubChem (CID 143935792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).