3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

C17H29N5 — CID 36721664

IUPAC3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(CC)[C@H](CNc1nnc(C)c(C)c1C#N)CC(C)C
InChIInChI=1S/C17H29N5/c1-7-22(8-2)15(9-12(3)4)11-19-17-16(10-18)13(5)14(6)20-21-17/h12,15H,7-9,11H2,1-6H3,(H,19,21)/t15-/m0/s1
InChIKeyFBPWMRYUSPOAOB-HNNXBMFYSA-N
MW303.45 g/mol
LogP3.13
Rot. Bonds8

About 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 36721664) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID36721664
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(CC)[C@H](CNc1nnc(C)c(C)c1C#N)CC(C)C
InChIInChI=1S/C17H29N5/c1-7-22(8-2)15(9-12(3)4)11-19-17-16(10-18)13(5)14(6)20-21-17/h12,15H,7-9,11H2,1-6H3,(H,19,21)/t15-/m0/s1
InChIKeyFBPWMRYUSPOAOB-HNNXBMFYSA-N
XLogP3.13
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 36721664) is 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is CCN(CC)[C@H](CNc1nnc(C)c(C)c1C#N)CC(C)C.
What is the InChIKey of 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is FBPWMRYUSPOAOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N5/c1-7-22(8-2)15(9-12(3)4)11-19-17-16(10-18)13(5)14(6)20-21-17/h12,15H,7-9,11H2,1-6H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 303.45 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 36721664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).