2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile

C15H18N4 — CID 164954431

IUPAC2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile
SMILESCc1nc2c(C(C)C)nncc2c(C(C)C)c1C#N
InChIInChI=1S/C15H18N4/c1-8(2)13-11(6-16)10(5)18-15-12(13)7-17-19-14(15)9(3)4/h7-9H,1-5H3
InChIKeyAZBOTSRFDNIDEX-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.45
Rot. Bonds2

About 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile

2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile (PubChem CID 164954431) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile
PubChem CID164954431
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile
SMILESCc1nc2c(C(C)C)nncc2c(C(C)C)c1C#N
InChIInChI=1S/C15H18N4/c1-8(2)13-11(6-16)10(5)18-15-12(13)7-17-19-14(15)9(3)4/h7-9H,1-5H3
InChIKeyAZBOTSRFDNIDEX-UHFFFAOYSA-N
XLogP3.45
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile?
The IUPAC name of 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile (CID 164954431) is 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile?
The canonical SMILES for 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile is Cc1nc2c(C(C)C)nncc2c(C(C)C)c1C#N.
What is the InChIKey of 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile?
The InChIKey is AZBOTSRFDNIDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-8(2)13-11(6-16)10(5)18-15-12(13)7-17-19-14(15)9(3)4/h7-9H,1-5H3.
What are the key properties of 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile?
2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile is sourced from PubChem (CID 164954431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).