N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine

C10H18N4 — CID 65360085

IUPACN-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1ncn[nH]1
InChIInChI=1S/C10H18N4/c1-3-5-6-7-9(11-4-2)10-12-8-13-14-10/h3,8-9,11H,1,4-7H2,2H3,(H,12,13,14)
InChIKeyXIHRMESNAZICEC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.81
Rot. Bonds7

About N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine

N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine (PubChem CID 65360085) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
PubChem CID65360085
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1ncn[nH]1
InChIInChI=1S/C10H18N4/c1-3-5-6-7-9(11-4-2)10-12-8-13-14-10/h3,8-9,11H,1,4-7H2,2H3,(H,12,13,14)
InChIKeyXIHRMESNAZICEC-UHFFFAOYSA-N
XLogP1.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine (CID 65360085) is N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine is C=CCCCC(NCC)c1ncn[nH]1.
What is the InChIKey of N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
The InChIKey is XIHRMESNAZICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-6-7-9(11-4-2)10-12-8-13-14-10/h3,8-9,11H,1,4-7H2,2H3,(H,12,13,14).
What are the key properties of N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine is sourced from PubChem (CID 65360085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).