3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile

C16H27N5 — CID 115310144

IUPAC3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)(CN)CC(C)C)c(C#N)c1CC
InChIInChI=1S/C16H27N5/c1-6-12-13(9-17)15(21-20-14(12)7-2)19-16(5,10-18)8-11(3)4/h11H,6-8,10,18H2,1-5H3,(H,19,21)
InChIKeyHLZSACNNSQIKQT-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.65
Rot. Bonds7

About 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 115310144) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID115310144
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)(CN)CC(C)C)c(C#N)c1CC
InChIInChI=1S/C16H27N5/c1-6-12-13(9-17)15(21-20-14(12)7-2)19-16(5,10-18)8-11(3)4/h11H,6-8,10,18H2,1-5H3,(H,19,21)
InChIKeyHLZSACNNSQIKQT-UHFFFAOYSA-N
XLogP2.65
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
CID 103756843
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754
3-[4-(2-cyanopropan-2-yl)anilino]-5,6-diethylpyridazine-4-carbonitrile
CID 133373625
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 115427688
3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80510272

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 115310144) is 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NC(C)(CN)CC(C)C)c(C#N)c1CC.
What is the InChIKey of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is HLZSACNNSQIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-6-12-13(9-17)15(21-20-14(12)7-2)19-16(5,10-18)8-11(3)4/h11H,6-8,10,18H2,1-5H3,(H,19,21).
What are the key properties of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 289.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 115310144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).