5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile

C17H21N7 — CID 167633129

IUPAC5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CCCCC1
InChIInChI=1S/C17H21N7/c1-12-15(20-9-13-5-3-2-4-6-13)7-16(24-23-12)22-17-11-19-14(8-18)10-21-17/h7,10-11,13H,2-6,9H2,1H3,(H2,20,21,22,24)
InChIKeyOCAGPWGIMMULNI-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.18
Rot. Bonds5

About 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167633129) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167633129
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CCCCC1
InChIInChI=1S/C17H21N7/c1-12-15(20-9-13-5-3-2-4-6-13)7-16(24-23-12)22-17-11-19-14(8-18)10-21-17/h7,10-11,13H,2-6,9H2,1H3,(H2,20,21,22,24)
InChIKeyOCAGPWGIMMULNI-UHFFFAOYSA-N
XLogP3.18
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 167633129) is 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is Cc1nnc(Nc2cnc(C#N)cn2)cc1NCC1CCCCC1.
What is the InChIKey of 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is OCAGPWGIMMULNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-12-15(20-9-13-5-3-2-4-6-13)7-16(24-23-12)22-17-11-19-14(8-18)10-21-17/h7,10-11,13H,2-6,9H2,1H3,(H2,20,21,22,24).
What are the key properties of 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167633129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).