4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

C11H16N6 — CID 167893366

IUPAC4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESC=CCn1cc(CNc2nncn2CC)cn1
InChIInChI=1S/C11H16N6/c1-3-5-17-8-10(7-14-17)6-12-11-15-13-9-16(11)4-2/h3,7-9H,1,4-6H2,2H3,(H,12,15)
InChIKeyFVQUZFDBFZKQSM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.29
Rot. Bonds6

About 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 167893366) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID167893366
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESC=CCn1cc(CNc2nncn2CC)cn1
InChIInChI=1S/C11H16N6/c1-3-5-17-8-10(7-14-17)6-12-11-15-13-9-16(11)4-2/h3,7-9H,1,4-6H2,2H3,(H,12,15)
InChIKeyFVQUZFDBFZKQSM-UHFFFAOYSA-N
XLogP1.29
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-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-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine
CID 131921128
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 103818685
4-bromo-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 106303387
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazol-2-amine
CID 62136959
5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75483596
N-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120973425
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 167893366) is 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is C=CCn1cc(CNc2nncn2CC)cn1.
What is the InChIKey of 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is FVQUZFDBFZKQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-5-17-8-10(7-14-17)6-12-11-15-13-9-16(11)4-2/h3,7-9H,1,4-6H2,2H3,(H,12,15).
What are the key properties of 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 167893366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).