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

C8H12N4 — CID 130455126

IUPACN,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine
SMILESC=CCN(CC=C)n1cncn1
InChIInChI=1S/C8H12N4/c1-3-5-11(6-4-2)12-8-9-7-10-12/h3-4,7-8H,1-2,5-6H2
InChIKeyZDKWXCGJPQEYFA-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.59
Rot. Bonds5

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

N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine (PubChem CID 130455126) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine
PubChem CID130455126
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine
SMILESC=CCN(CC=C)n1cncn1
InChIInChI=1S/C8H12N4/c1-3-5-11(6-4-2)12-8-9-7-10-12/h3-4,7-8H,1-2,5-6H2
InChIKeyZDKWXCGJPQEYFA-UHFFFAOYSA-N
XLogP0.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-1,2,4-Triazole, 1-(2-propenyl)-
CID 572564
4H-1,2,4-Triazole, 4-(2-propenyl)-
CID 10898671
1-[(E)-but-2-enyl]-1,2,4-triazole
CID 12591949
N-prop-2-enyl-N-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
CID 13325786
1-(Prop-2-en-1-yl)-1H-1,2,4-triazol-3-amine
CID 19833650
1,4-Bis(prop-2-enyl)-1,2,4-triazol-4-ium
CID 66809833
1-Prop-2-enyl-1,2,4-triazol-4-ium-4-amine
CID 68407805
1-Allyl-4-amino-1,2,4-triazolium bromide
CID 68407807
N-prop-2-enyl-1,2,4-triazol-1-amine
CID 68930656
N-prop-2-enyl-1,2,4-triazol-4-amine
CID 70290149
1-(2-Buten-1-yl)-1H-1,2,4-triazole
CID 78951339
2-Prop-2-enyl-1,2,4-triazol-3-amine
CID 86084691

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine (CID 130455126) is N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine is C=CCN(CC=C)n1cncn1.
What is the InChIKey of N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine?
The InChIKey is ZDKWXCGJPQEYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-5-11(6-4-2)12-8-9-7-10-12/h3-4,7-8H,1-2,5-6H2.
What are the key properties of N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine?
N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine has a molecular weight of 164.21 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-1,2,4-triazol-1-amine is sourced from PubChem (CID 130455126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).