N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide

C13H17N7O — CID 158036810

IUPACN'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide
SMILES[H]/N=C/N=C/N(C)c1ncnn2c(C)nc([C@@H]3CCOC3)c12
InChIInChI=1S/C13H17N7O/c1-9-18-11(10-3-4-21-5-10)12-13(16-7-17-20(9)12)19(2)8-15-6-14/h6-8,10,14H,3-5H2,1-2H3/b14-6+,15-8+/t10-/m1/s1
InChIKeyFHVRDOBBHJKIOO-HJTGSQMTSA-N
MW287.33 g/mol
LogP1.01
Rot. Bonds4

About N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide

N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide (PubChem CID 158036810) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide
PubChem CID158036810
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC NameN'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide
SMILES[H]/N=C/N=C/N(C)c1ncnn2c(C)nc([C@@H]3CCOC3)c12
InChIInChI=1S/C13H17N7O/c1-9-18-11(10-3-4-21-5-10)12-13(16-7-17-20(9)12)19(2)8-15-6-14/h6-8,10,14H,3-5H2,1-2H3/b14-6+,15-8+/t10-/m1/s1
InChIKeyFHVRDOBBHJKIOO-HJTGSQMTSA-N
XLogP1.01
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
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

2,4-dimethyl-6-[7-methyl-5-(oxolan-3-yl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123675759
6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
CID 91799522
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799392
6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 91799424
4-ethyl-2-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 91799497
2-cyclopropyl-4-ethyl-6-[7-methyl-5-(oxolan-3-yl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123591583
7-fluoro-3-methyl-2-(oxolan-3-yl)imidazo[1,2-a]pyridine
CID 71251291
2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 130503537
3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine
CID 114266902
ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine
CID 156651974
N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine
CID 156651438
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126918275

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide?
The IUPAC name of N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide (CID 158036810) is N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide.
What is the SMILES notation for N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide?
The canonical SMILES for N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide is [H]/N=C/N=C/N(C)c1ncnn2c(C)nc([C@@H]3CCOC3)c12.
What is the InChIKey of N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide?
The InChIKey is FHVRDOBBHJKIOO-HJTGSQMTSA-N. The full InChI is InChI=1S/C13H17N7O/c1-9-18-11(10-3-4-21-5-10)12-13(16-7-17-20(9)12)19(2)8-15-6-14/h6-8,10,14H,3-5H2,1-2H3/b14-6+,15-8+/t10-/m1/s1.
What are the key properties of N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide?
N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide has a molecular weight of 287.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide is sourced from PubChem (CID 158036810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).