methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C15H15N5O3 — CID 23589623

IUPACmethyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Nc3ccc(OC)nc3)c2c1C
InChIInChI=1S/C15H15N5O3/c1-9-11(15(21)23-3)7-20-13(9)14(17-8-18-20)19-10-4-5-12(22-2)16-6-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyDVQZXKDRIWJVMP-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.97
Rot. Bonds4

About methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 23589623) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID23589623
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Namemethyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Nc3ccc(OC)nc3)c2c1C
InChIInChI=1S/C15H15N5O3/c1-9-11(15(21)23-3)7-20-13(9)14(17-8-18-20)19-10-4-5-12(22-2)16-6-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyDVQZXKDRIWJVMP-UHFFFAOYSA-N
XLogP1.97
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 23589623) is methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is COC(=O)c1cn2ncnc(Nc3ccc(OC)nc3)c2c1C.
What is the InChIKey of methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is DVQZXKDRIWJVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-11(15(21)23-3)7-20-13(9)14(17-8-18-20)19-10-4-5-12(22-2)16-6-10/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 23589623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).