4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine

C8H12N4 — CID 165402995

IUPAC4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine
SMILESC=C/C(N)=C/c1cnn(C)c1N
InChIInChI=1S/C8H12N4/c1-3-7(9)4-6-5-11-12(2)8(6)10/h3-5H,1,9-10H2,2H3/b7-4-
InChIKeyZENQUMMCGLGDKX-DAXSKMNVSA-N
MW164.21 g/mol
LogP0.49
Rot. Bonds2

About 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine

4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine (PubChem CID 165402995) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine
PubChem CID165402995
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine
SMILESC=C/C(N)=C/c1cnn(C)c1N
InChIInChI=1S/C8H12N4/c1-3-7(9)4-6-5-11-12(2)8(6)10/h3-5H,1,9-10H2,2H3/b7-4-
InChIKeyZENQUMMCGLGDKX-DAXSKMNVSA-N
XLogP0.49
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E)-5-fluoro-2-methylpenta-1,3-dien-3-yl]pyrazol-3-amine
CID 134596494
6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 67989264
6-(3-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 67989290
5-amino-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrazole-4-carbonitrile
CID 89160765
1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
CID 89178782
1-[(3Z,5Z)-5-(aminomethylidene)hepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179239
2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
CID 89250424
(Z)-3-imino-1-(1-methylpyrazol-4-yl)prop-1-en-1-amine
CID 90288447
6-(1-Methylpyrazol-4-yl)-1,4-dihydropyrimidine
CID 90884896
1-methyl-6H-pyrazolo[5,4-b]azepine
CID 123366036
1-Methyl-4-pent-1-enylpyrazol-5-amine
CID 123377825
1-(5-Methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine
CID 123474685

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine (CID 165402995) is 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine is C=C/C(N)=C/c1cnn(C)c1N.
What is the InChIKey of 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine?
The InChIKey is ZENQUMMCGLGDKX-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-7(9)4-6-5-11-12(2)8(6)10/h3-5H,1,9-10H2,2H3/b7-4-.
What are the key properties of 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine?
4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine has a molecular weight of 164.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 165402995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).