3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one

C11H18N4O — CID 94896988

IUPAC3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(N[C@@H]2CCCC[C@H]2N)c1=O
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(11(15)16)14-9-5-3-2-4-8(9)12/h6-9H,2-5,12H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyKPZLEYMFOCOHNJ-RKDXNWHRSA-N
MW222.29 g/mol
LogP0.46
Rot. Bonds2

About 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one

3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one (PubChem CID 94896988) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
PubChem CID94896988
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(N[C@@H]2CCCC[C@H]2N)c1=O
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(11(15)16)14-9-5-3-2-4-8(9)12/h6-9H,2-5,12H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyKPZLEYMFOCOHNJ-RKDXNWHRSA-N
XLogP0.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
1-N-(1-methylimidazol-2-yl)cyclopentane-1,2-diamine
CID 63252580
3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63258805
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one
CID 62940261
6-[(2-aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 55151132
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
CID 63363573
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
3-[(2-chlorocyclohexyl)amino]-1-propan-2-ylpyrazin-2-one
CID 65028826
4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 55130606
trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine
CID 102738846
3-[[2-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 106365605

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one (CID 94896988) is 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one is Cn1ccnc(N[C@@H]2CCCC[C@H]2N)c1=O.
What is the InChIKey of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one?
The InChIKey is KPZLEYMFOCOHNJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-7-6-13-10(11(15)16)14-9-5-3-2-4-8(9)12/h6-9H,2-5,12H2,1H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one?
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 94896988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).