3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile

C17H24N4O — CID 133473624

IUPAC3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCOC(C3CC3)C2)c(C#N)c1CC
InChIInChI=1S/C17H24N4O/c1-3-13-14(10-18)17(21-20-15(13)4-2)19-12-7-8-22-16(9-12)11-5-6-11/h11-12,16H,3-9H2,1-2H3,(H,19,21)
InChIKeyHBAWMRZFKBAEDP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.84
Rot. Bonds5

About 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133473624) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133473624
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCOC(C3CC3)C2)c(C#N)c1CC
InChIInChI=1S/C17H24N4O/c1-3-13-14(10-18)17(21-20-15(13)4-2)19-12-7-8-22-16(9-12)11-5-6-11/h11-12,16H,3-9H2,1-2H3,(H,19,21)
InChIKeyHBAWMRZFKBAEDP-UHFFFAOYSA-N
XLogP2.84
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-[(2-phenyloxan-4-yl)amino]pyridazine-4-carbonitrile
CID 133474153
5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515330
3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80509527
3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80508506
5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
CID 80509599
2-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061823
5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 106130804
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 106738206
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
CID 80514429

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 133473624) is 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NC2CCOC(C3CC3)C2)c(C#N)c1CC.
What is the InChIKey of 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is HBAWMRZFKBAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-13-14(10-18)17(21-20-15(13)4-2)19-12-7-8-22-16(9-12)11-5-6-11/h11-12,16H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133473624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).