3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

C17H18N4 — CID 36628003

IUPAC3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N[C@H](c2ccccc2)C2CC2)c(C#N)c1C
InChIInChI=1S/C17H18N4/c1-11-12(2)20-21-17(15(11)10-18)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14,16H,8-9H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyWEBGLUSWEIJLMT-MRXNPFEDSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds4

About 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 36628003) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID36628003
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N[C@H](c2ccccc2)C2CC2)c(C#N)c1C
InChIInChI=1S/C17H18N4/c1-11-12(2)20-21-17(15(11)10-18)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14,16H,8-9H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyWEBGLUSWEIJLMT-MRXNPFEDSA-N
XLogP3.53
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(R)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36628007
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 63010424
5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 60968436
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47151232
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-2-cyclohexylacetic acid
CID 80508588
5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62065580
3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097029
5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile
CID 51125562
5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
CID 47394896
4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline
CID 63449062

Frequently Asked Questions

What is the IUPAC name of 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 36628003) is 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N[C@H](c2ccccc2)C2CC2)c(C#N)c1C.
What is the InChIKey of 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is WEBGLUSWEIJLMT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-12(2)20-21-17(15(11)10-18)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14,16H,8-9H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 36628003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).