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

C8H12N4 — CID 130455127

IUPACN,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine
SMILESC=CCN(CC=C)c1ncn[nH]1
InChIInChI=1S/C8H12N4/c1-3-5-12(6-4-2)8-9-7-10-11-8/h3-4,7H,1-2,5-6H2,(H,9,10,11)
InChIKeySKIAEBSNRFHWLW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.98
Rot. Bonds5

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

N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine (PubChem CID 130455127) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine
PubChem CID130455127
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine
SMILESC=CCN(CC=C)c1ncn[nH]1
InChIInChI=1S/C8H12N4/c1-3-5-12(6-4-2)8-9-7-10-11-8/h3-4,7H,1-2,5-6H2,(H,9,10,11)
InChIKeySKIAEBSNRFHWLW-UHFFFAOYSA-N
XLogP0.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.98
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 N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine (CID 130455127) is N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine is C=CCN(CC=C)c1ncn[nH]1.
What is the InChIKey of N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is SKIAEBSNRFHWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-5-12(6-4-2)8-9-7-10-11-8/h3-4,7H,1-2,5-6H2,(H,9,10,11).
What are the key properties of N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine?
N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 164.21 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 130455127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).