4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine

C9H16N4 — CID 156557223

IUPAC4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine
SMILESCC/C=C(\CC)n1cnnc1NC
InChIInChI=1S/C9H16N4/c1-4-6-8(5-2)13-7-11-12-9(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,12)/b8-6+
InChIKeyCIQGVZPANQVLSO-SOFGYWHQSA-N
MW180.25 g/mol
LogP1.98
Rot. Bonds4

About 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine

4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine (PubChem CID 156557223) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine
PubChem CID156557223
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine
SMILESCC/C=C(\CC)n1cnnc1NC
InChIInChI=1S/C9H16N4/c1-4-6-8(5-2)13-7-11-12-9(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,12)/b8-6+
InChIKeyCIQGVZPANQVLSO-SOFGYWHQSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine (CID 156557223) is 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine is CC/C=C(\CC)n1cnnc1NC.
What is the InChIKey of 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine?
The InChIKey is CIQGVZPANQVLSO-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-6-8(5-2)13-7-11-12-9(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,12)/b8-6+.
What are the key properties of 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine?
4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 156557223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).