8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine

C9H13N3 — CID 62785717

IUPAC8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
SMILESCC1CCCc2cc(N)nnc21
InChIInChI=1S/C9H13N3/c1-6-3-2-4-7-5-8(10)11-12-9(6)7/h5-6H,2-4H2,1H3,(H2,10,11)
InChIKeyCUTSOCPWNHEPRL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.50
Rot. Bonds

About 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine

8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine (PubChem CID 62785717) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine.

Molecular Properties

Compound Name8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
PubChem CID62785717
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
SMILESCC1CCCc2cc(N)nnc21
InChIInChI=1S/C9H13N3/c1-6-3-2-4-7-5-8(10)11-12-9(6)7/h5-6H,2-4H2,1H3,(H2,10,11)
InChIKeyCUTSOCPWNHEPRL-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
The IUPAC name of 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine (CID 62785717) is 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine.
What is the SMILES notation for 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
The canonical SMILES for 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine is CC1CCCc2cc(N)nnc21.
What is the InChIKey of 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
The InChIKey is CUTSOCPWNHEPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-3-2-4-7-5-8(10)11-12-9(6)7/h5-6H,2-4H2,1H3,(H2,10,11).
What are the key properties of 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine is sourced from PubChem (CID 62785717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).