(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine

C9H14N4 — CID 162735801

IUPAC(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
SMILESC=Cn1cnnc1/C=C(\CC)NC
InChIInChI=1S/C9H14N4/c1-4-8(10-3)6-9-12-11-7-13(9)5-2/h5-7,10H,2,4H2,1,3H3/b8-6+
InChIKeyXUTBNHMJLXRBQV-SOFGYWHQSA-N
MW178.24 g/mol
LogP1.35
Rot. Bonds4

About (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine

(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine (PubChem CID 162735801) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
PubChem CID162735801
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
SMILESC=Cn1cnnc1/C=C(\CC)NC
InChIInChI=1S/C9H14N4/c1-4-8(10-3)6-9-12-11-7-13(9)5-2/h5-7,10H,2,4H2,1,3H3/b8-6+
InChIKeyXUTBNHMJLXRBQV-SOFGYWHQSA-N
XLogP1.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

13-Methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene
CID 57209093
9H-[1,2,4]triazolo[4,3-a]azepin-9-amine
CID 91240957
5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole
CID 142875349
N-tert-butyl-6-(4-methyl-1,2,4-triazol-3-yl)cyclohepta-1,4,6-trien-1-amine
CID 143181223
(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine
CID 143342785
4,12-Dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene
CID 146174440
(Z)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)but-1-en-1-amine
CID 155049487
6-Chloro-2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2-dihydropyridine
CID 155049497
6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine
CID 155453943
(Z)-3-[2-[(Z)-but-2-en-2-yl]-1,2,4-triazol-3-yl]-N-methylprop-2-en-1-amine
CID 156423982
ethane;(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
CID 162735800
ethane;(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine
CID 162736478

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine?
The IUPAC name of (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine (CID 162735801) is (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine.
What is the SMILES notation for (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine?
The canonical SMILES for (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine is C=Cn1cnnc1/C=C(\CC)NC.
What is the InChIKey of (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine?
The InChIKey is XUTBNHMJLXRBQV-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-8(10-3)6-9-12-11-7-13(9)5-2/h5-7,10H,2,4H2,1,3H3/b8-6+.
What are the key properties of (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine?
(E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine has a molecular weight of 178.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethenyl-1,2,4-triazol-3-yl)-N-methylbut-1-en-2-amine is sourced from PubChem (CID 162735801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).