5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile

C11H14N4O — CID 65110472

IUPAC5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC2(O)CCCC2)cn1
InChIInChI=1S/C11H14N4O/c12-5-9-6-14-10(7-13-9)15-8-11(16)3-1-2-4-11/h6-7,16H,1-4,8H2,(H,14,15)
InChIKeyVDSLVVWSDSYLKN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.07
Rot. Bonds3

About 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile

5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 65110472) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
PubChem CID65110472
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC2(O)CCCC2)cn1
InChIInChI=1S/C11H14N4O/c12-5-9-6-14-10(7-13-9)15-8-11(16)3-1-2-4-11/h6-7,16H,1-4,8H2,(H,14,15)
InChIKeyVDSLVVWSDSYLKN-UHFFFAOYSA-N
XLogP1.07
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
CID 65122274
1-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65111028
1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164784
5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 102562655
5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyrazine-2-carbonitrile
CID 107849281
5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
CID 115306779
2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 83076259
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile (CID 65110472) is 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCC2(O)CCCC2)cn1.
What is the InChIKey of 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is VDSLVVWSDSYLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-5-9-6-14-10(7-13-9)15-8-11(16)3-1-2-4-11/h6-7,16H,1-4,8H2,(H,14,15).
What are the key properties of 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile?
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 65110472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).