6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile

C9H9N3O — CID 96630300

IUPAC6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile
SMILESCc1nc(N)c(C#N)c2c1COC2
InChIInChI=1S/C9H9N3O/c1-5-7-3-13-4-8(7)6(2-10)9(11)12-5/h3-4H2,1H3,(H2,11,12)
InChIKeyKFUZJWUSLFEBPD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.87
Rot. Bonds

About 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile

6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile (PubChem CID 96630300) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile
PubChem CID96630300
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile
SMILESCc1nc(N)c(C#N)c2c1COC2
InChIInChI=1S/C9H9N3O/c1-5-7-3-13-4-8(7)6(2-10)9(11)12-5/h3-4H2,1H3,(H2,11,12)
InChIKeyKFUZJWUSLFEBPD-UHFFFAOYSA-N
XLogP0.87
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile (CID 96630300) is 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile is Cc1nc(N)c(C#N)c2c1COC2.
What is the InChIKey of 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile?
The InChIKey is KFUZJWUSLFEBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-7-3-13-4-8(7)6(2-10)9(11)12-5/h3-4H2,1H3,(H2,11,12).
What are the key properties of 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile?
6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 96630300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).