3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile

C12H16N4O — CID 64911460

IUPAC3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CCCCC1O
InChIInChI=1S/C12H16N4O/c13-7-10-12(15-6-5-14-10)16-8-9-3-1-2-4-11(9)17/h5-6,9,11,17H,1-4,8H2,(H,15,16)
InChIKeySPGKDXPNCKVGAY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.31
Rot. Bonds3

About 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile

3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 64911460) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
PubChem CID64911460
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CCCCC1O
InChIInChI=1S/C12H16N4O/c13-7-10-12(15-6-5-14-10)16-8-9-3-1-2-4-11(9)17/h5-6,9,11,17H,1-4,8H2,(H,15,16)
InChIKeySPGKDXPNCKVGAY-UHFFFAOYSA-N
XLogP1.31
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile (CID 64911460) is 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCC1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is SPGKDXPNCKVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-7-10-12(15-6-5-14-10)16-8-9-3-1-2-4-11(9)17/h5-6,9,11,17H,1-4,8H2,(H,15,16).
What are the key properties of 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile?
3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 64911460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).