6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile

C15H22N4 — CID 133479838

IUPAC6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile
SMILESCC(C)C1CCCC(Nc2ccc(C#N)nn2)CC1
InChIInChI=1S/C15H22N4/c1-11(2)12-4-3-5-13(7-6-12)17-15-9-8-14(10-16)18-19-15/h8-9,11-13H,3-7H2,1-2H3,(H,17,19)
InChIKeyJFAUJSNLEKYVNV-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.37
Rot. Bonds3

About 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile

6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile (PubChem CID 133479838) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile
PubChem CID133479838
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile
SMILESCC(C)C1CCCC(Nc2ccc(C#N)nn2)CC1
InChIInChI=1S/C15H22N4/c1-11(2)12-4-3-5-13(7-6-12)17-15-9-8-14(10-16)18-19-15/h8-9,11-13H,3-7H2,1-2H3,(H,17,19)
InChIKeyJFAUJSNLEKYVNV-UHFFFAOYSA-N
XLogP3.37
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopentylamino)pyridazine-3-carbonitrile
CID 126988363
6-[(1-ethylsulfonylpiperidin-4-yl)amino]pyridazine-3-carbonitrile
CID 133433430
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818
6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile
CID 133418862
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
CID 133479815
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
6-[[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]amino]pyridazine-3-carbonitrile
CID 24989201
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
6-[(2-ethylsulfinylcyclohexyl)amino]pyridazine-3-carbonitrile
CID 133419157
6-(cyclohexylmethylamino)pyridazine-3-carbonitrile
CID 163350091
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
CID 86280904

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile (CID 133479838) is 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile is CC(C)C1CCCC(Nc2ccc(C#N)nn2)CC1.
What is the InChIKey of 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile?
The InChIKey is JFAUJSNLEKYVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)12-4-3-5-13(7-6-12)17-15-9-8-14(10-16)18-19-15/h8-9,11-13H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile?
6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133479838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).