3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

C15H23N5 — CID 115309041

IUPAC3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC2(CN)CCCCC2C)c(C#N)c1C
InChIInChI=1S/C15H23N5/c1-10-6-4-5-7-15(10,9-17)18-14-13(8-16)11(2)12(3)19-20-14/h10H,4-7,9,17H2,1-3H3,(H,18,20)
InChIKeyYVJMKIZIKWXLTE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds3

About 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 115309041) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID115309041
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC2(CN)CCCCC2C)c(C#N)c1C
InChIInChI=1S/C15H23N5/c1-10-6-4-5-7-15(10,9-17)18-14-13(8-16)11(2)12(3)19-20-14/h10H,4-7,9,17H2,1-3H3,(H,18,20)
InChIKeyYVJMKIZIKWXLTE-UHFFFAOYSA-N
XLogP2.28
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 115309041) is 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NC2(CN)CCCCC2C)c(C#N)c1C.
What is the InChIKey of 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is YVJMKIZIKWXLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10-6-4-5-7-15(10,9-17)18-14-13(8-16)11(2)12(3)19-20-14/h10H,4-7,9,17H2,1-3H3,(H,18,20).
What are the key properties of 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 115309041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).