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

C10H18N4 — CID 156563680

IUPAC(E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine
SMILESCC/C=C(\CC)NCCn1cncn1
InChIInChI=1S/C10H18N4/c1-3-5-10(4-2)12-6-7-14-9-11-8-13-14/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-5+
InChIKeyOHCLUDRQZJACCF-BJMVGYQFSA-N
MW194.28 g/mol
LogP1.57
Rot. Bonds6

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

(E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine (PubChem CID 156563680) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine
PubChem CID156563680
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine
SMILESCC/C=C(\CC)NCCn1cncn1
InChIInChI=1S/C10H18N4/c1-3-5-10(4-2)12-6-7-14-9-11-8-13-14/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-5+
InChIKeyOHCLUDRQZJACCF-BJMVGYQFSA-N
XLogP1.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine?
The IUPAC name of (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine (CID 156563680) is (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine.
What is the SMILES notation for (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine?
The canonical SMILES for (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine is CC/C=C(\CC)NCCn1cncn1.
What is the InChIKey of (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine?
The InChIKey is OHCLUDRQZJACCF-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-10(4-2)12-6-7-14-9-11-8-13-14/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-5+.
What are the key properties of (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine?
(E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine is sourced from PubChem (CID 156563680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).