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

C10H12N4O — CID 66005273

IUPAC3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CC(O)C1
InChIInChI=1S/C10H12N4O/c11-5-9-10(13-2-1-12-9)14-6-7-3-8(15)4-7/h1-2,7-8,15H,3-4,6H2,(H,13,14)
InChIKeyCWVFPROXGWPFAM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.53
Rot. Bonds3

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

3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 66005273) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
PubChem CID66005273
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CC(O)C1
InChIInChI=1S/C10H12N4O/c11-5-9-10(13-2-1-12-9)14-6-7-3-8(15)4-7/h1-2,7-8,15H,3-4,6H2,(H,13,14)
InChIKeyCWVFPROXGWPFAM-UHFFFAOYSA-N
XLogP0.53
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842
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3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64911460
3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 102984602
5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 115487752
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
CID 103269649
3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide
CID 79393897
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855861
3-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284176
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile (CID 66005273) is 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCC1CC(O)C1.
What is the InChIKey of 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is CWVFPROXGWPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-5-9-10(13-2-1-12-9)14-6-7-3-8(15)4-7/h1-2,7-8,15H,3-4,6H2,(H,13,14).
What are the key properties of 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 66005273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).