4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide

C18H18N8O — CID 145011148

IUPAC4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
SMILESN#CN1CCCC(c2nc(-c3ccc(C(N)=O)cc3)c3c(N)ncnn23)C1
InChIInChI=1S/C18H18N8O/c19-9-25-7-1-2-13(8-25)18-24-14(15-16(20)22-10-23-26(15)18)11-3-5-12(6-4-11)17(21)27/h3-6,10,13H,1-2,7-8H2,(H2,21,27)(H2,20,22,23)
InChIKeyQXRNFGJBZRUSFE-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.13
Rot. Bonds3

About 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide

4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide (PubChem CID 145011148) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide.

Molecular Properties

Compound Name4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
PubChem CID145011148
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
SMILESN#CN1CCCC(c2nc(-c3ccc(C(N)=O)cc3)c3c(N)ncnn23)C1
InChIInChI=1S/C18H18N8O/c19-9-25-7-1-2-13(8-25)18-24-14(15-16(20)22-10-23-26(15)18)11-3-5-12(6-4-11)17(21)27/h3-6,10,13H,1-2,7-8H2,(H2,21,27)(H2,20,22,23)
InChIKeyQXRNFGJBZRUSFE-UHFFFAOYSA-N
XLogP1.13
TPSA139.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]pyrrolidine-1-carbonitrile
CID 118861491
[4-[4-amino-5-(4-hydroxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]cyanamide
CID 145011049
4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
CID 145011141
4-[4-amino-7-(1-cyanopyrrolidin-3-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzamide
CID 145011106
4-[4-amino-7-[1-(3-ethoxypropanoyl)piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[N-methyl-C-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]carbonimidoyl]benzamide
CID 144510145
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyrazin-2-ylbenzamide
CID 144510321
4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]benzaldehyde
CID 138600992
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
1-[4-(8-amino-5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]ethanone
CID 123313140
7-[3-(azetidin-1-ylmethyl)cyclopentyl]-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11669672

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
The IUPAC name of 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide (CID 145011148) is 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide.
What is the SMILES notation for 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
The canonical SMILES for 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide is N#CN1CCCC(c2nc(-c3ccc(C(N)=O)cc3)c3c(N)ncnn23)C1.
What is the InChIKey of 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
The InChIKey is QXRNFGJBZRUSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c19-9-25-7-1-2-13(8-25)18-24-14(15-16(20)22-10-23-26(15)18)11-3-5-12(6-4-11)17(21)27/h3-6,10,13H,1-2,7-8H2,(H2,21,27)(H2,20,22,23).
What are the key properties of 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide has a molecular weight of 362.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-(1-cyanopiperidin-3-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide is sourced from PubChem (CID 145011148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).