5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile

C13H16N4O — CID 156846947

IUPAC5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1ncc(C2CC2)nc1NCC1(O)CCC1
InChIInChI=1S/C13H16N4O/c14-6-10-12(16-8-13(18)4-1-5-13)17-11(7-15-10)9-2-3-9/h7,9,18H,1-5,8H2,(H,16,17)
InChIKeyIUDLBAGFBQVPRO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.55
Rot. Bonds4

About 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile

5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 156846947) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
PubChem CID156846947
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1ncc(C2CC2)nc1NCC1(O)CCC1
InChIInChI=1S/C13H16N4O/c14-6-10-12(16-8-13(18)4-1-5-13)17-11(7-15-10)9-2-3-9/h7,9,18H,1-5,8H2,(H,16,17)
InChIKeyIUDLBAGFBQVPRO-UHFFFAOYSA-N
XLogP1.55
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile (CID 156846947) is 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile is N#Cc1ncc(C2CC2)nc1NCC1(O)CCC1.
What is the InChIKey of 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is IUDLBAGFBQVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-6-10-12(16-8-13(18)4-1-5-13)17-11(7-15-10)9-2-3-9/h7,9,18H,1-5,8H2,(H,16,17).
What are the key properties of 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 156846947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).