(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine

C11H15N3 — CID 89166861

IUPAC(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C(C)=C/N)c1cnn(C)c1
InChIInChI=1S/C11H15N3/c1-4-10(5-9(2)6-12)11-7-13-14(3)8-11/h4-8H,1,12H2,2-3H3/b9-6-,10-5+
InChIKeyVYFPDWZUGJFLCG-SCWCTGRGSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds3

About (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine

(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine (PubChem CID 89166861) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine
PubChem CID89166861
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C(C)=C/N)c1cnn(C)c1
InChIInChI=1S/C11H15N3/c1-4-10(5-9(2)6-12)11-7-13-14(3)8-11/h4-8H,1,12H2,2-3H3/b9-6-,10-5+
InChIKeyVYFPDWZUGJFLCG-SCWCTGRGSA-N
XLogP1.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
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 (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine (CID 89166861) is (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine is C=C/C(=C\C(C)=C/N)c1cnn(C)c1.
What is the InChIKey of (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is VYFPDWZUGJFLCG-SCWCTGRGSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-10(5-9(2)6-12)11-7-13-14(3)8-11/h4-8H,1,12H2,2-3H3/b9-6-,10-5+.
What are the key properties of (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine?
(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89166861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).