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

C11H20N4 — CID 65360098

IUPACN-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ncn[nH]1
InChIInChI=1S/C11H20N4/c1-3-5-6-7-10(12-8-4-2)11-13-9-14-15-11/h3,9-10,12H,1,4-8H2,2H3,(H,13,14,15)
InChIKeyPNRBFNRNLLKYDO-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.20
Rot. Bonds8

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

N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine (PubChem CID 65360098) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
PubChem CID65360098
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ncn[nH]1
InChIInChI=1S/C11H20N4/c1-3-5-6-7-10(12-8-4-2)11-13-9-14-15-11/h3,9-10,12H,1,4-8H2,2H3,(H,13,14,15)
InChIKeyPNRBFNRNLLKYDO-UHFFFAOYSA-N
XLogP2.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.20
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-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
The IUPAC name of N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine (CID 65360098) is N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine.
What is the SMILES notation for N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
The canonical SMILES for N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine is C=CCCCC(NCCC)c1ncn[nH]1.
What is the InChIKey of N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
The InChIKey is PNRBFNRNLLKYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-5-6-7-10(12-8-4-2)11-13-9-14-15-11/h3,9-10,12H,1,4-8H2,2H3,(H,13,14,15).
What are the key properties of N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine?
N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine is sourced from PubChem (CID 65360098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).