5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C16H22N8 — CID 164599353

IUPAC5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCN1NC=C(NC[C@H]2CCCNC2)C=C1Nc1cnc(C#N)cn1
InChIInChI=1S/C16H22N8/c1-24-16(23-15-11-20-14(6-17)9-21-15)5-13(10-22-24)19-8-12-3-2-4-18-7-12/h5,9-12,18-19,22H,2-4,7-8H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyYXJZAWHGZMTOQJ-LBPRGKRZSA-N
MW326.41 g/mol
LogP0.48
Rot. Bonds5

About 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 164599353) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID164599353
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCN1NC=C(NC[C@H]2CCCNC2)C=C1Nc1cnc(C#N)cn1
InChIInChI=1S/C16H22N8/c1-24-16(23-15-11-20-14(6-17)9-21-15)5-13(10-22-24)19-8-12-3-2-4-18-7-12/h5,9-12,18-19,22H,2-4,7-8H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyYXJZAWHGZMTOQJ-LBPRGKRZSA-N
XLogP0.48
TPSA100.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595061
(Z)-4-[[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]-methylamino]-2-methylidenebut-3-enoic acid
CID 143784570
2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrol-1-ylpyridine-2,4-diamine
CID 88882259
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385
5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175112986
4-methyl-3-(piperidin-3-ylmethylamino)benzonitrile
CID 80555575
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932124
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595069
6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
CID 164598967

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 164599353) is 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile is CN1NC=C(NC[C@H]2CCCNC2)C=C1Nc1cnc(C#N)cn1.
What is the InChIKey of 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is YXJZAWHGZMTOQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N8/c1-24-16(23-15-11-20-14(6-17)9-21-15)5-13(10-22-24)19-8-12-3-2-4-18-7-12/h5,9-12,18-19,22H,2-4,7-8H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 326.41 g/mol, XLogP of 0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 164599353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).