methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

C9H13N3O2 — CID 25339065

IUPACmethyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2nc[nH]c2CN1C
InChIInChI=1S/C9H13N3O2/c1-12-4-7-6(10-5-11-7)3-8(12)9(13)14-2/h5,8H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyFMOPERHYACTNRL-QMMMGPOBSA-N
MW195.22 g/mol
LogP-0.06
Rot. Bonds1

About methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 25339065) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID25339065
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2nc[nH]c2CN1C
InChIInChI=1S/C9H13N3O2/c1-12-4-7-6(10-5-11-7)3-8(12)9(13)14-2/h5,8H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyFMOPERHYACTNRL-QMMMGPOBSA-N
XLogP-0.06
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (CID 25339065) is methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@@H]1Cc2nc[nH]c2CN1C.
What is the InChIKey of methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is FMOPERHYACTNRL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-4-7-6(10-5-11-7)3-8(12)9(13)14-2/h5,8H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 195.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 25339065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).