2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H18N6 — CID 143218728

IUPAC2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC/C=C\C=C/Cc1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C16H18N6/c1-3-4-5-6-9-14-17-16(13-8-7-10-22(13)21-14)18-15-11-12(2)19-20-15/h3-8,10-11H,9H2,1-2H3,(H2,17,18,19,20,21)/b4-3-,6-5-
InChIKeyFKZQEAFHOVSBGN-OUPQRBNQSA-N
MW294.36 g/mol
LogP3.18
Rot. Bonds5

About 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 143218728) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID143218728
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC/C=C\C=C/Cc1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C16H18N6/c1-3-4-5-6-9-14-17-16(13-8-7-10-22(13)21-14)18-15-11-12(2)19-20-15/h3-8,10-11H,9H2,1-2H3,(H2,17,18,19,20,21)/b4-3-,6-5-
InChIKeyFKZQEAFHOVSBGN-OUPQRBNQSA-N
XLogP3.18
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 91431192
2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
CID 58494447
2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 88880749
2-[dimethylamino-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494368
(2S)-2-methyl-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 90243337
(4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
CID 58494344
2-[(4-fluorophenyl)-(methoxyamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107763
2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol
CID 45107852
N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90185527
(1-hydroxycyclopropyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532779
[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 58532762
2-[(4-fluorophenyl)-[3-(4-methylpiperazin-1-yl)propylsulfanyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494460

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 143218728) is 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is C/C=C\C=C/Cc1nc(Nc2cc(C)[nH]n2)c2cccn2n1.
What is the InChIKey of 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FKZQEAFHOVSBGN-OUPQRBNQSA-N. The full InChI is InChI=1S/C16H18N6/c1-3-4-5-6-9-14-17-16(13-8-7-10-22(13)21-14)18-15-11-12(2)19-20-15/h3-8,10-11H,9H2,1-2H3,(H2,17,18,19,20,21)/b4-3-,6-5-.
What are the key properties of 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 143218728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).