5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine

C9H14N4 — CID 126569116

IUPAC5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine
SMILESC=CCN(CC=C)c1n[nH]c(C)n1
InChIInChI=1S/C9H14N4/c1-4-6-13(7-5-2)9-10-8(3)11-12-9/h4-5H,1-2,6-7H2,3H3,(H,10,11,12)
InChIKeyXODGRJDEFNVGEV-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.29
Rot. Bonds5

About 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine

5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine (PubChem CID 126569116) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine
PubChem CID126569116
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine
SMILESC=CCN(CC=C)c1n[nH]c(C)n1
InChIInChI=1S/C9H14N4/c1-4-6-13(7-5-2)9-10-8(3)11-12-9/h4-5H,1-2,6-7H2,3H3,(H,10,11,12)
InChIKeyXODGRJDEFNVGEV-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
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 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine (CID 126569116) is 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine is C=CCN(CC=C)c1n[nH]c(C)n1.
What is the InChIKey of 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is XODGRJDEFNVGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-6-13(7-5-2)9-10-8(3)11-12-9/h4-5H,1-2,6-7H2,3H3,(H,10,11,12).
What are the key properties of 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine?
5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 178.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 126569116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).