(3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine

C14H19N5 — CID 165399452

IUPAC(3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine
SMILESC/C(C=C(N)N)=C(/N)c1ccc2nn(C)cc2c1C
InChIInChI=1S/C14H19N5/c1-8(6-13(15)16)14(17)10-4-5-12-11(9(10)2)7-19(3)18-12/h4-7H,15-17H2,1-3H3/b14-8-
InChIKeyCHBGRGQGIPJMII-ZSOIEALJSA-N
MW257.34 g/mol
LogP1.33
Rot. Bonds2

About (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine

(3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine (PubChem CID 165399452) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine
PubChem CID165399452
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name(3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine
SMILESC/C(C=C(N)N)=C(/N)c1ccc2nn(C)cc2c1C
InChIInChI=1S/C14H19N5/c1-8(6-13(15)16)14(17)10-4-5-12-11(9(10)2)7-19(3)18-12/h4-7H,15-17H2,1-3H3/b14-8-
InChIKeyCHBGRGQGIPJMII-ZSOIEALJSA-N
XLogP1.33
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethylindazol-4-yl)-trifluoroboranuide
CID 74787622
CID 165399443
CID 165399443
2-methylindazole-5-carbothioamide
CID 83445998
5-ethyl-2-methylindazol-4-ol
CID 177040057
2-methylindazol-4-amine
CID 15413170
2,4-dimethylindazole;ethane
CID 90974355
(2,5-dimethylindazol-4-yl)carbamic acid
CID 174236036
4-buta-1,3-dien-2-yl-2-methylindazole
CID 123545046
2,5-dimethylindazole
CID 58763639
5-chloro-2-methylindazole-4-carboxylic acid
CID 105464530
(3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 165399474
2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline
CID 166054970

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine (CID 165399452) is (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine is C/C(C=C(N)N)=C(/N)c1ccc2nn(C)cc2c1C.
What is the InChIKey of (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is CHBGRGQGIPJMII-ZSOIEALJSA-N. The full InChI is InChI=1S/C14H19N5/c1-8(6-13(15)16)14(17)10-4-5-12-11(9(10)2)7-19(3)18-12/h4-7H,15-17H2,1-3H3/b14-8-.
What are the key properties of (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine?
(3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine has a molecular weight of 257.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(2,4-dimethylindazol-5-yl)-3-methylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 165399452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).