5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine

C10H18N4 — CID 66821363

IUPAC5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine
SMILESC=CCn1nc(N)nc1CCCCC
InChIInChI=1S/C10H18N4/c1-3-5-6-7-9-12-10(11)13-14(9)8-4-2/h4H,2-3,5-8H2,1H3,(H2,11,13)
InChIKeyJGCTZDUNGPKQDC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.78
Rot. Bonds6

About 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine

5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine (PubChem CID 66821363) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine
PubChem CID66821363
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine
SMILESC=CCn1nc(N)nc1CCCCC
InChIInChI=1S/C10H18N4/c1-3-5-6-7-9-12-10(11)13-14(9)8-4-2/h4H,2-3,5-8H2,1H3,(H2,11,13)
InChIKeyJGCTZDUNGPKQDC-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Pentyl-5-prop-2-enyl-1,2,4-triazole-3-carbonitrile
CID 67753983
4-Pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine
CID 69237759
N-ethenyl-1-(5-ethenyl-3-heptyl-1,2,4-triazol-1-yl)methanimine
CID 126658837
(Z)-N-ethyl-1-(5-ethyl-1,2,4-triazol-1-yl)but-2-en-1-imine
CID 132109342
2-Octyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141343215
1-(5-Ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine
CID 141381960
ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 145001555
1-but-2-enyl-N-methyl-3,5-bis(2-methylpropyl)-1,2,4-triazol-1-ium-4-amine
CID 153766662
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-prop-2-enylpiperidine
CID 53586262
5-(3,5-Dimethyl-1,2,4-triazol-1-yl)pentanimidamide
CID 61524564
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]prop-2-en-1-amine
CID 62565134
2-Butyl-5-propyl-1,2,4-triazol-3-amine
CID 62677531

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine (CID 66821363) is 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine is C=CCn1nc(N)nc1CCCCC.
What is the InChIKey of 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine?
The InChIKey is JGCTZDUNGPKQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-6-7-9-12-10(11)13-14(9)8-4-2/h4H,2-3,5-8H2,1H3,(H2,11,13).
What are the key properties of 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine?
5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 66821363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).