N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide

C15H18N6O — CID 176922666

IUPACN'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncnn2c(C3CCC(C)(C#N)O3)ccc12
InChIInChI=1S/C15H18N6O/c1-15(8-16)7-6-13(22-15)11-4-5-12-14(18-10-20(2)3)17-9-19-21(11)12/h4-5,9-10,13H,6-7H2,1-3H3/b18-10+
InChIKeyOMPMTBHUXJJKNP-VCHYOVAHSA-N
MW298.35 g/mol
LogP2.08
Rot. Bonds3

About N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide

N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 176922666) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID176922666
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncnn2c(C3CCC(C)(C#N)O3)ccc12
InChIInChI=1S/C15H18N6O/c1-15(8-16)7-6-13(22-15)11-4-5-12-14(18-10-20(2)3)17-9-19-21(11)12/h4-5,9-10,13H,6-7H2,1-3H3/b18-10+
InChIKeyOMPMTBHUXJJKNP-VCHYOVAHSA-N
XLogP2.08
TPSA78.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide;propane-2,2-diol
CID 172567830
CID 169174604
CID 169174604
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methanol
CID 123972346
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl henicosyl hydrogen phosphite
CID 167478119
[(3aR,4R,6R,6aR)-4-cyano-4-[4-(dimethylaminomethylideneamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl tert-butylsulfanylformate
CID 177102123
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl 2-methylpropanoate
CID 176928997
[(2R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl 1-methylcyclopropane-1-carboxylate;2-methoxypropan-2-ol
CID 169174467
[(2R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl 3,3-dimethylcyclobutane-1-carboxylate
CID 169174649
[(2R,5R)-2-cyano-5-[4-(3,3-dimethylbutanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate
CID 169174451
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl (1,1-difluoro-2-methylpropan-2-yl) carbonate
CID 169174945
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl henicosyl hydrogen phosphate
CID 167477529
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyanooxolan-2-yl]methyl hydrogen carbonate;oxolane
CID 169175006

Frequently Asked Questions

What is the IUPAC name of N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide (CID 176922666) is N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ncnn2c(C3CCC(C)(C#N)O3)ccc12.
What is the InChIKey of N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is OMPMTBHUXJJKNP-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H18N6O/c1-15(8-16)7-6-13(22-15)11-4-5-12-14(18-10-20(2)3)17-9-19-21(11)12/h4-5,9-10,13H,6-7H2,1-3H3/b18-10+.
What are the key properties of N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide?
N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 298.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(5-cyano-5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 176922666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).