5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine

C9H12N4 — CID 89044522

IUPAC5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
SMILESC=C/C=C(\C=C/N)c1cc(N)n[nH]1
InChIInChI=1S/C9H12N4/c1-2-3-7(4-5-10)8-6-9(11)13-12-8/h2-6H,1,10H2,(H3,11,12,13)/b5-4-,7-3+
InChIKeyFSWWVXUOQKCVSQ-SBYNAHCQSA-N
MW176.22 g/mol
LogP1.03
Rot. Bonds3

About 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine

5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine (PubChem CID 89044522) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
PubChem CID89044522
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
SMILESC=C/C=C(\C=C/N)c1cc(N)n[nH]1
InChIInChI=1S/C9H12N4/c1-2-3-7(4-5-10)8-6-9(11)13-12-8/h2-6H,1,10H2,(H3,11,12,13)/b5-4-,7-3+
InChIKeyFSWWVXUOQKCVSQ-SBYNAHCQSA-N
XLogP1.03
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine (CID 89044522) is 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine is C=C/C=C(\C=C/N)c1cc(N)n[nH]1.
What is the InChIKey of 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine?
The InChIKey is FSWWVXUOQKCVSQ-SBYNAHCQSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-3-7(4-5-10)8-6-9(11)13-12-8/h2-6H,1,10H2,(H3,11,12,13)/b5-4-,7-3+.
What are the key properties of 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine?
5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine has a molecular weight of 176.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 89044522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).