5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile

C14H21N5 — CID 115306779

IUPAC5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCNC2CCCCCC2)cn1
InChIInChI=1S/C14H21N5/c15-9-13-10-19-14(11-18-13)17-8-7-16-12-5-3-1-2-4-6-12/h10-12,16H,1-8H2,(H,17,19)
InChIKeyCMUVUTKLDILBST-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.07
Rot. Bonds5

About 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile

5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile (PubChem CID 115306779) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
PubChem CID115306779
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCNC2CCCCCC2)cn1
InChIInChI=1S/C14H21N5/c15-9-13-10-19-14(11-18-13)17-8-7-16-12-5-3-1-2-4-6-12/h10-12,16H,1-8H2,(H,17,19)
InChIKeyCMUVUTKLDILBST-UHFFFAOYSA-N
XLogP2.07
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918213
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 133485428
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331
3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
CID 115306698
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile
CID 133484099
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile (CID 115306779) is 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCCNC2CCCCCC2)cn1.
What is the InChIKey of 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is CMUVUTKLDILBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c15-9-13-10-19-14(11-18-13)17-8-7-16-12-5-3-1-2-4-6-12/h10-12,16H,1-8H2,(H,17,19).
What are the key properties of 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile?
5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 115306779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).