azane;3,4-dimethylcinnoline

C10H13N3 — CID 174582634

IUPACazane;3,4-dimethylcinnoline
SMILESCc1nnc2ccccc2c1C.N
InChIInChI=1S/C10H10N2.H3N/c1-7-8(2)11-12-10-6-4-3-5-9(7)10;/h3-6H,1-2H3;1H3
InChIKeyAULGLNRJAQRTLG-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.41
Rot. Bonds

About azane;3,4-dimethylcinnoline

azane;3,4-dimethylcinnoline (PubChem CID 174582634) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is azane;3,4-dimethylcinnoline.

Molecular Properties

Compound Nameazane;3,4-dimethylcinnoline
PubChem CID174582634
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Nameazane;3,4-dimethylcinnoline
SMILESCc1nnc2ccccc2c1C.N
InChIInChI=1S/C10H10N2.H3N/c1-7-8(2)11-12-10-6-4-3-5-9(7)10;/h3-6H,1-2H3;1H3
InChIKeyAULGLNRJAQRTLG-UHFFFAOYSA-N
XLogP2.41
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylbenzo[c]cinnoline
CID 135059712
methane;3-methylbenzo[c]cinnoline
CID 157102255
1,3,4-trimethylisoquinoline
CID 59961835
5,6,7,12,13,14-hexamethylpentacene
CID 20682938
3,4-dichlorocinnoline
CID 14643415
N-(3-chloro-4-methylphenyl)-3-methylcinnolin-4-amine
CID 23825149
2,3,4-trimethylpyrimido[1,2-b]indazole
CID 21240475
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
9-methylselenadiazolo[4,5-b]quinoline
CID 11557837
benzene;4-methylquinazoline
CID 174274782
3,4,5-trimethyl-6-phenylpyridazine
CID 169124700
3,4,9-trimethylacridine
CID 58813802

Frequently Asked Questions

What is the IUPAC name of azane;3,4-dimethylcinnoline?
The IUPAC name of azane;3,4-dimethylcinnoline (CID 174582634) is azane;3,4-dimethylcinnoline.
What is the SMILES notation for azane;3,4-dimethylcinnoline?
The canonical SMILES for azane;3,4-dimethylcinnoline is Cc1nnc2ccccc2c1C.N.
What is the InChIKey of azane;3,4-dimethylcinnoline?
The InChIKey is AULGLNRJAQRTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.H3N/c1-7-8(2)11-12-10-6-4-3-5-9(7)10;/h3-6H,1-2H3;1H3.
What are the key properties of azane;3,4-dimethylcinnoline?
azane;3,4-dimethylcinnoline has a molecular weight of 175.23 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-dimethylcinnoline is sourced from PubChem (CID 174582634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).