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

C9H13N3 — CID 134162273

IUPAC5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
SMILESCC1CCCc2nnc(N)cc21
InChIInChI=1S/C9H13N3/c1-6-3-2-4-8-7(6)5-9(10)12-11-8/h5-6H,2-4H2,1H3,(H2,10,12)
InChIKeyMGJSZWLKXUCRAQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.50
Rot. Bonds

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

5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine (PubChem CID 134162273) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine.

Molecular Properties

Compound Name5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
PubChem CID134162273
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
SMILESCC1CCCc2nnc(N)cc21
InChIInChI=1S/C9H13N3/c1-6-3-2-4-8-7(6)5-9(10)12-11-8/h5-6H,2-4H2,1H3,(H2,10,12)
InChIKeyMGJSZWLKXUCRAQ-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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Related Compounds

3-Hydrazinyl-6-phenylpyridazine
CID 6409842
Cinnolin-3-amine
CID 4210012
6-Phenylpyridazin-3-amine
CID 11958915
5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine
CID 5288116
3-Amino-4,6-diphenylpyridazine
CID 11770746
Pyridazine, 3-amino-4,6-dimethyl-
CID 205057
3-Pyridazinamine, 4-methyl-6-phenyl-, monohydrochloride
CID 6410668
4-Methylphthalazin-1-amine
CID 6401334
5-Methyl-6-phenylpyridazin-3-amine
CID 13735348
5,6-Dimethylpyridazin-3-amine
CID 19422863
3-Amino-4-methyl-6-phenylpyridazine
CID 603946
6-Cyclohexylpyridazin-3-amine
CID 13735314

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
The IUPAC name of 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine (CID 134162273) is 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine.
What is the SMILES notation for 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
The canonical SMILES for 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine is CC1CCCc2nnc(N)cc21.
What is the InChIKey of 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
The InChIKey is MGJSZWLKXUCRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-3-2-4-8-7(6)5-9(10)12-11-8/h5-6H,2-4H2,1H3,(H2,10,12).
What are the key properties of 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine?
5-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 5-methyl-5,6,7,8-tetrahydrocinnolin-3-amine is sourced from PubChem (CID 134162273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).