N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine

C8H14N4 — CID 65360075

IUPACN-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)c1ncn[nH]1
InChIInChI=1S/C8H14N4/c1-3-4-5-7(9-2)8-10-6-11-12-8/h3,6-7,9H,1,4-5H2,2H3,(H,10,11,12)
InChIKeyDAMNCGJSOKVZRM-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.03
Rot. Bonds5

About N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine

N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine (PubChem CID 65360075) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine
PubChem CID65360075
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)c1ncn[nH]1
InChIInChI=1S/C8H14N4/c1-3-4-5-7(9-2)8-10-6-11-12-8/h3,6-7,9H,1,4-5H2,2H3,(H,10,11,12)
InChIKeyDAMNCGJSOKVZRM-UHFFFAOYSA-N
XLogP1.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine?
The IUPAC name of N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine (CID 65360075) is N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine is C=CCCC(NC)c1ncn[nH]1.
What is the InChIKey of N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine?
The InChIKey is DAMNCGJSOKVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-4-5-7(9-2)8-10-6-11-12-8/h3,6-7,9H,1,4-5H2,2H3,(H,10,11,12).
What are the key properties of N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine?
N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine has a molecular weight of 166.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine is sourced from PubChem (CID 65360075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).