3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C13H19N5 — CID 80515273

IUPAC3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCCN(c1nnc(C)c(C)c1C#N)C1CNC1
InChIInChI=1S/C13H19N5/c1-4-5-18(11-7-15-8-11)13-12(6-14)9(2)10(3)16-17-13/h11,15H,4-5,7-8H2,1-3H3
InChIKeyHSHXXDPEFRNCIE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.15
Rot. Bonds4

About 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 80515273) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID80515273
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCCN(c1nnc(C)c(C)c1C#N)C1CNC1
InChIInChI=1S/C13H19N5/c1-4-5-18(11-7-15-8-11)13-12(6-14)9(2)10(3)16-17-13/h11,15H,4-5,7-8H2,1-3H3
InChIKeyHSHXXDPEFRNCIE-UHFFFAOYSA-N
XLogP1.15
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 80515273) is 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is CCCN(c1nnc(C)c(C)c1C#N)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is HSHXXDPEFRNCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-5-18(11-7-15-8-11)13-12(6-14)9(2)10(3)16-17-13/h11,15H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80515273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).