1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid

C13H16N4O2 — CID 55104874

IUPAC1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2nccnc2C#N)(C(=O)O)CC1
InChIInChI=1S/C13H16N4O2/c1-9-2-4-13(5-3-9,12(18)19)17-11-10(8-14)15-6-7-16-11/h6-7,9H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyRCJSVCPWIHULAQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 55104874) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID55104874
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2nccnc2C#N)(C(=O)O)CC1
InChIInChI=1S/C13H16N4O2/c1-9-2-4-13(5-3-9,12(18)19)17-11-10(8-14)15-6-7-16-11/h6-7,9H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyRCJSVCPWIHULAQ-UHFFFAOYSA-N
XLogP1.79
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-3-methyl-2-[(6-methylpyrazin-2-yl)amino]heptanoic acid
CID 169795049
(2S)-5,5-dimethyl-2-[(3-methylpyrazin-2-yl)amino]hexanoic acid
CID 172210172
1-[(3-Carbamoylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55103001
Methyl 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpentanoate
CID 55104357
7-[(3-Cyanopyrazin-2-yl)amino]heptanoic acid
CID 55104777
2-[(3-Cyanopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 55104823
3-[1-(3-Cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922
4-Methyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 61289562
4-Ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 61293960
2-[(3-Cyanopyrazin-2-yl)amino]-2-cyclohexylacetic acid
CID 62671975
1-[(3-Cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 62672148
1-[(3-Cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62672149

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 55104874) is 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(Nc2nccnc2C#N)(C(=O)O)CC1.
What is the InChIKey of 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is RCJSVCPWIHULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-2-4-13(5-3-9,12(18)19)17-11-10(8-14)15-6-7-16-11/h6-7,9H,2-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 55104874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).