5-methylpyridazino[4,5-b]indole-4-carbonitrile

C12H8N4 — CID 15343013

IUPAC5-methylpyridazino[4,5-b]indole-4-carbonitrile
SMILESCn1c2ccccc2c2cnnc(C#N)c21
InChIInChI=1S/C12H8N4/c1-16-11-5-3-2-4-8(11)9-7-14-15-10(6-13)12(9)16/h2-5,7H,1H3
InChIKeyPMNJWSTUOHAJRU-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.99
Rot. Bonds

About 5-methylpyridazino[4,5-b]indole-4-carbonitrile

5-methylpyridazino[4,5-b]indole-4-carbonitrile (PubChem CID 15343013) has the molecular formula C12H8N4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-methylpyridazino[4,5-b]indole-4-carbonitrile.

Molecular Properties

Compound Name5-methylpyridazino[4,5-b]indole-4-carbonitrile
PubChem CID15343013
Molecular FormulaC12H8N4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Name5-methylpyridazino[4,5-b]indole-4-carbonitrile
SMILESCn1c2ccccc2c2cnnc(C#N)c21
InChIInChI=1S/C12H8N4/c1-16-11-5-3-2-4-8(11)9-7-14-15-10(6-13)12(9)16/h2-5,7H,1H3
InChIKeyPMNJWSTUOHAJRU-UHFFFAOYSA-N
XLogP1.99
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
4-propan-2-ylisoquinoline-1-carbonitrile
CID 59856285
3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 71027447
9-methyl-1,3-diphenylcarbazole-2-carbonitrile
CID 3563048
9-methylpyrido[2,3-b]indole
CID 12596580
1-fluoro-9-methylcarbazole
CID 139447921
trimethyl-(5-methyl-3-phenylpyrido[4,3-b]indol-4-yl)silane
CID 10980438
4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146546450
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403

Frequently Asked Questions

What is the IUPAC name of 5-methylpyridazino[4,5-b]indole-4-carbonitrile?
The IUPAC name of 5-methylpyridazino[4,5-b]indole-4-carbonitrile (CID 15343013) is 5-methylpyridazino[4,5-b]indole-4-carbonitrile.
What is the SMILES notation for 5-methylpyridazino[4,5-b]indole-4-carbonitrile?
The canonical SMILES for 5-methylpyridazino[4,5-b]indole-4-carbonitrile is Cn1c2ccccc2c2cnnc(C#N)c21.
What is the InChIKey of 5-methylpyridazino[4,5-b]indole-4-carbonitrile?
The InChIKey is PMNJWSTUOHAJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4/c1-16-11-5-3-2-4-8(11)9-7-14-15-10(6-13)12(9)16/h2-5,7H,1H3.
What are the key properties of 5-methylpyridazino[4,5-b]indole-4-carbonitrile?
5-methylpyridazino[4,5-b]indole-4-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridazino[4,5-b]indole-4-carbonitrile is sourced from PubChem (CID 15343013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).