2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine

C7H10N4 — CID 134578471

IUPAC2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine
SMILESC=C/C=C\n1nc(C)nc1N
InChIInChI=1S/C7H10N4/c1-3-4-5-11-7(8)9-6(2)10-11/h3-5H,1H2,2H3,(H2,8,9,10)/b5-4-
InChIKeyXYOQCKRKDCOLKC-PLNGDYQASA-N
MW150.18 g/mol
LogP0.83
Rot. Bonds2

About 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine

2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine (PubChem CID 134578471) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine
PubChem CID134578471
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine
SMILESC=C/C=C\n1nc(C)nc1N
InChIInChI=1S/C7H10N4/c1-3-4-5-11-7(8)9-6(2)10-11/h3-5H,1H2,2H3,(H2,8,9,10)/b5-4-
InChIKeyXYOQCKRKDCOLKC-PLNGDYQASA-N
XLogP0.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine (CID 134578471) is 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine is C=C/C=C\n1nc(C)nc1N.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is XYOQCKRKDCOLKC-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10N4/c1-3-4-5-11-7(8)9-6(2)10-11/h3-5H,1H2,2H3,(H2,8,9,10)/b5-4-.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine?
2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 150.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134578471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).