[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide

C18H19N7O — CID 145011049

IUPAC[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide
SMILESN#CNC1CCC(c2nc(-c3ccc(O)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C18H19N7O/c19-9-21-13-5-1-12(2-6-13)18-24-15(11-3-7-14(26)8-4-11)16-17(20)22-10-23-25(16)18/h3-4,7-8,10,12-13,21,26H,1-2,5-6H2,(H2,20,22,23)
InChIKeyXWCAPCFZWCCPIA-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.18
Rot. Bonds3

About [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide

[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide (PubChem CID 145011049) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide.

Molecular Properties

Compound Name[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide
PubChem CID145011049
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide
SMILESN#CNC1CCC(c2nc(-c3ccc(O)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C18H19N7O/c19-9-21-13-5-1-12(2-6-13)18-24-15(11-3-7-14(26)8-4-11)16-17(20)22-10-23-25(16)18/h3-4,7-8,10,12-13,21,26H,1-2,5-6H2,(H2,20,22,23)
InChIKeyXWCAPCFZWCCPIA-UHFFFAOYSA-N
XLogP2.18
TPSA125.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
CID 145011148
3-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]pyrrolidine-1-carbonitrile
CID 118861491
5-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethyl)phenol
CID 118034583
4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide
CID 66676979
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 175750648
[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol
CID 11640272
7-(3-aminocyclopentyl)-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11711067
4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 135887237
3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide
CID 11640783
7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 135802779
4-(1,5-diamino-2-cyclopropylimidazol-4-yl)benzonitrile
CID 62483808

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide?
The IUPAC name of [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide (CID 145011049) is [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide.
What is the SMILES notation for [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide?
The canonical SMILES for [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide is N#CNC1CCC(c2nc(-c3ccc(O)cc3)c3c(N)ncnn23)CC1.
What is the InChIKey of [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide?
The InChIKey is XWCAPCFZWCCPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c19-9-21-13-5-1-12(2-6-13)18-24-15(11-3-7-14(26)8-4-11)16-17(20)22-10-23-25(16)18/h3-4,7-8,10,12-13,21,26H,1-2,5-6H2,(H2,20,22,23).
What are the key properties of [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide?
[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide has a molecular weight of 349.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide is sourced from PubChem (CID 145011049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).