3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine

C9H14N4O — CID 130627526

IUPAC3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
SMILESNc1nccnc1N[C@H]1CCCOC1
InChIInChI=1S/C9H14N4O/c10-8-9(12-4-3-11-8)13-7-2-1-5-14-6-7/h3-4,7H,1-2,5-6H2,(H2,10,11)(H,12,13)/t7-/m0/s1
InChIKeyKZJOYBHSDQFMKS-ZETCQYMHSA-N
MW194.24 g/mol
LogP0.65
Rot. Bonds2

About 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine

3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine (PubChem CID 130627526) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
PubChem CID130627526
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
SMILESNc1nccnc1N[C@H]1CCCOC1
InChIInChI=1S/C9H14N4O/c10-8-9(12-4-3-11-8)13-7-2-1-5-14-6-7/h3-4,7H,1-2,5-6H2,(H2,10,11)(H,12,13)/t7-/m0/s1
InChIKeyKZJOYBHSDQFMKS-ZETCQYMHSA-N
XLogP0.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 130639694
3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine
CID 103761758
N-[(3S)-oxan-3-yl]pyrazin-2-amine
CID 130628778
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
CID 63363573
N-(oxan-3-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106538565
2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 79633134
3-nitro-2-N-(oxan-3-yl)pyridine-2,6-diamine
CID 80830518
ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
CID 55188965
1-cyclopentyl-N-(oxan-3-yl)imidazol-2-amine
CID 106573279
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
3-N-(oxan-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66274730
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine (CID 130627526) is 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine is Nc1nccnc1N[C@H]1CCCOC1.
What is the InChIKey of 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine?
The InChIKey is KZJOYBHSDQFMKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-9(12-4-3-11-8)13-7-2-1-5-14-6-7/h3-4,7H,1-2,5-6H2,(H2,10,11)(H,12,13)/t7-/m0/s1.
What are the key properties of 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine?
3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine has a molecular weight of 194.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine is sourced from PubChem (CID 130627526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).