ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C22H29N7O2 — CID 171550970

IUPACethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCC1CCC1.CNc1nc(N)nn2ccc(-c3ccc4ncccc4n3)c12.OCCO
InChIInChI=1S/C15H13N7.C5H10.C2H6O2/c1-17-14-13-9(6-8-22(13)21-15(16)20-14)10-4-5-11-12(19-10)3-2-7-18-11;1-5-3-2-4-5;3-1-2-4/h2-8H,1H3,(H3,16,17,20,21);5H,2-4H2,1H3;3-4H,1-2H2
InChIKeyCKXDWBBSNJDNES-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.74
Rot. Bonds3

About ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171550970) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Nameethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171550970
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Nameethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCC1CCC1.CNc1nc(N)nn2ccc(-c3ccc4ncccc4n3)c12.OCCO
InChIInChI=1S/C15H13N7.C5H10.C2H6O2/c1-17-14-13-9(6-8-22(13)21-15(16)20-14)10-4-5-11-12(19-10)3-2-7-18-11;1-5-3-2-4-5;3-1-2-4/h2-8H,1H3,(H3,16,17,20,21);5H,2-4H2,1H3;3-4H,1-2H2
InChIKeyCKXDWBBSNJDNES-UHFFFAOYSA-N
XLogP2.74
TPSA134.48 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

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Related Compounds

(3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551078
1-methyl-3-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutan-1-ol
CID 171551508
1-[4-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 171551474
4-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 171551869
2-cyclohexylpropan-2-ol;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552317
2-N-[(3S,4S)-3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551735
5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178001056
2-N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733829
2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol
CID 171552099
5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone
CID 171551370
5-[3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-(3,3-difluoropiperidin-1-yl)ethanone
CID 171551584
3-fluoro-1-(2-methoxyethyl)piperidine;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551611

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171550970) is ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CC1CCC1.CNc1nc(N)nn2ccc(-c3ccc4ncccc4n3)c12.OCCO.
What is the InChIKey of ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is CKXDWBBSNJDNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7.C5H10.C2H6O2/c1-17-14-13-9(6-8-22(13)21-15(16)20-14)10-4-5-11-12(19-10)3-2-7-18-11;1-5-3-2-4-5;3-1-2-4/h2-8H,1H3,(H3,16,17,20,21);5H,2-4H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 423.52 g/mol, XLogP of 2.74, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171550970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).