6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine

C9H12N2 — CID 143453446

IUPAC6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
SMILESC1=CC2=C(CNCC2)N=CC1
InChIInChI=1S/C9H12N2/c1-2-5-11-9-7-10-6-4-8(9)3-1/h1,3,5,10H,2,4,6-7H2
InChIKeyAHCHAQDZUJVNOY-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds

About 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine

6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine (PubChem CID 143453446) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
PubChem CID143453446
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
SMILESC1=CC2=C(CNCC2)N=CC1
InChIInChI=1S/C9H12N2/c1-2-5-11-9-7-10-6-4-8(9)3-1/h1,3,5,10H,2,4,6-7H2
InChIKeyAHCHAQDZUJVNOY-UHFFFAOYSA-N
XLogP1.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22174869
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CID 57230838
1,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 58443044
8-Aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene
CID 58669499
2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine
CID 66579617
1,2,3,4,4a,5-Hexahydropyrido[2,3-f]quinoxaline
CID 67302414
5-pyrrolidin-2-ylidene-2H-pyridine
CID 68186916
2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69029528
2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190056
2,3,4,5-tetrahydro-1H-pyrazino[2,3-h][3]benzazepine
CID 69736688
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CID 90980838

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine?
The IUPAC name of 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine (CID 143453446) is 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine.
What is the SMILES notation for 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine?
The canonical SMILES for 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine is C1=CC2=C(CNCC2)N=CC1.
What is the InChIKey of 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine?
The InChIKey is AHCHAQDZUJVNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-5-11-9-7-10-6-4-8(9)3-1/h1,3,5,10H,2,4,6-7H2.
What are the key properties of 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine?
6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine has a molecular weight of 148.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine is sourced from PubChem (CID 143453446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).