1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine

C10H14N4 — CID 89178782

IUPAC1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
SMILESC=C(/C=C\C(C)=C/N)n1ccc(N)n1
InChIInChI=1S/C10H14N4/c1-8(7-11)3-4-9(2)14-6-5-10(12)13-14/h3-7H,2,11H2,1H3,(H2,12,13)/b4-3-,8-7-
InChIKeyVLXIKQRYNOSBGP-KPDBFRNYSA-N
MW190.25 g/mol
LogP1.35
Rot. Bonds3

About 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine

1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine (PubChem CID 89178782) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
PubChem CID89178782
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
SMILESC=C(/C=C\C(C)=C/N)n1ccc(N)n1
InChIInChI=1S/C10H14N4/c1-8(7-11)3-4-9(2)14-6-5-10(12)13-14/h3-7H,2,11H2,1H3,(H2,12,13)/b4-3-,8-7-
InChIKeyVLXIKQRYNOSBGP-KPDBFRNYSA-N
XLogP1.35
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine?
The IUPAC name of 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine (CID 89178782) is 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine?
The canonical SMILES for 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine is C=C(/C=C\C(C)=C/N)n1ccc(N)n1.
What is the InChIKey of 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine?
The InChIKey is VLXIKQRYNOSBGP-KPDBFRNYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(7-11)3-4-9(2)14-6-5-10(12)13-14/h3-7H,2,11H2,1H3,(H2,12,13)/b4-3-,8-7-.
What are the key properties of 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine?
1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine has a molecular weight of 190.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine is sourced from PubChem (CID 89178782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).