3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C16H23N5 — CID 106640993

IUPAC3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(CC2CCCCN2)C2CC2)c(C#N)c1C
InChIInChI=1S/C16H23N5/c1-11-12(2)19-20-16(15(11)9-17)21(14-6-7-14)10-13-5-3-4-8-18-13/h13-14,18H,3-8,10H2,1-2H3
InChIKeySQGJBIWUJDILCJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.08
Rot. Bonds4

About 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 106640993) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID106640993
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(CC2CCCCN2)C2CC2)c(C#N)c1C
InChIInChI=1S/C16H23N5/c1-11-12(2)19-20-16(15(11)9-17)21(14-6-7-14)10-13-5-3-4-8-18-13/h13-14,18H,3-8,10H2,1-2H3
InChIKeySQGJBIWUJDILCJ-UHFFFAOYSA-N
XLogP2.08
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
CID 106642345
5,6-dimethyl-3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516526
3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514896
5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516247
5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
CID 80515153
3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515273
N-cyclopropyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641204
3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514923
1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile
CID 106641435
4-chloro-2-[cyclopropyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641184
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
5,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106642559

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 106640993) is 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N(CC2CCCCN2)C2CC2)c(C#N)c1C.
What is the InChIKey of 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is SQGJBIWUJDILCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-12(2)19-20-16(15(11)9-17)21(14-6-7-14)10-13-5-3-4-8-18-13/h13-14,18H,3-8,10H2,1-2H3.
What are the key properties of 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 106640993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).