1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol

C13H22N4O — CID 80843498

IUPAC1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1cncc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-2-15-11-8-14-9-12(17-11)16-10-13(18)6-4-3-5-7-13/h8-9,18H,2-7,10H2,1H3,(H2,15,16,17)
InChIKeyIQMLAFKKOIYAJO-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.02
Rot. Bonds5

About 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80843498) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80843498
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1cncc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-2-15-11-8-14-9-12(17-11)16-10-13(18)6-4-3-5-7-13/h8-9,18H,2-7,10H2,1H3,(H2,15,16,17)
InChIKeyIQMLAFKKOIYAJO-UHFFFAOYSA-N
XLogP2.02
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol
CID 164633756
1-[(Pyrazin-2-ylamino)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 133502528
1-[[2-(4-Aminoimidazol-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 68460579
1-[[[2-(4-Aminoimidazol-1-yl)-2-methylpropyl]amino]methyl]cyclohexan-1-ol
CID 68461510
1-[[2-(4-Aminoimidazol-1-yl)propylamino]methyl]cyclohexan-1-ol
CID 68463546
4-[[(3-Amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 87114605
3-[[(6-Chloropyrazin-2-yl)amino]methyl]pentan-3-ol
CID 47476444
1-[(Pyrazin-2-ylamino)methyl]cyclopentan-1-ol
CID 61222583
3-[(Pyrazin-2-ylamino)methyl]pentan-3-ol
CID 62060543
[1-(Pyrazin-2-ylamino)cyclohexyl]methanol
CID 62521523
[4-Methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol
CID 62525506
[3-Methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol
CID 62527228

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 80843498) is 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol is CCNc1cncc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is IQMLAFKKOIYAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-15-11-8-14-9-12(17-11)16-10-13(18)6-4-3-5-7-13/h8-9,18H,2-7,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80843498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).