N-[(3S)-oxan-3-yl]pyrazin-2-amine

C9H13N3O — CID 130628778

IUPACN-[(3S)-oxan-3-yl]pyrazin-2-amine
SMILESc1cnc(N[C@H]2CCCOC2)cn1
InChIInChI=1S/C9H13N3O/c1-2-8(7-13-5-1)12-9-6-10-3-4-11-9/h3-4,6,8H,1-2,5,7H2,(H,11,12)/t8-/m0/s1
InChIKeyHJCZNGICYKWGOH-QMMMGPOBSA-N
MW179.22 g/mol
LogP1.07
Rot. Bonds2

About N-[(3S)-oxan-3-yl]pyrazin-2-amine

N-[(3S)-oxan-3-yl]pyrazin-2-amine (PubChem CID 130628778) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]pyrazin-2-amine
PubChem CID130628778
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(3S)-oxan-3-yl]pyrazin-2-amine
SMILESc1cnc(N[C@H]2CCCOC2)cn1
InChIInChI=1S/C9H13N3O/c1-2-8(7-13-5-1)12-9-6-10-3-4-11-9/h3-4,6,8H,1-2,5,7H2,(H,11,12)/t8-/m0/s1
InChIKeyHJCZNGICYKWGOH-QMMMGPOBSA-N
XLogP1.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559210
4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
4-N-pyrazin-2-ylcyclohexane-1,4-diamine
CID 56965635
3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
CID 130627526
4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
CID 115025286
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
4-nitro-N-(oxan-3-yl)pyridin-2-amine
CID 63363722
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine
CID 104534608
N-(4-fluorooxolan-3-yl)pyrazin-2-amine
CID 126856303

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]pyrazin-2-amine?
The IUPAC name of N-[(3S)-oxan-3-yl]pyrazin-2-amine (CID 130628778) is N-[(3S)-oxan-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-[(3S)-oxan-3-yl]pyrazin-2-amine?
The canonical SMILES for N-[(3S)-oxan-3-yl]pyrazin-2-amine is c1cnc(N[C@H]2CCCOC2)cn1.
What is the InChIKey of N-[(3S)-oxan-3-yl]pyrazin-2-amine?
The InChIKey is HJCZNGICYKWGOH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-8(7-13-5-1)12-9-6-10-3-4-11-9/h3-4,6,8H,1-2,5,7H2,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]pyrazin-2-amine?
N-[(3S)-oxan-3-yl]pyrazin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]pyrazin-2-amine is sourced from PubChem (CID 130628778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).