3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide

C12H18N4O2 — CID 143636816

IUPAC3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(N)=O)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-7-6-14-10(11(13)18)12(15-7)16-8-2-4-9(17)5-3-8/h6,8-9,17H,2-5H2,1H3,(H2,13,18)(H,15,16)
InChIKeyAFVPBRBZTRTFTN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.60
Rot. Bonds3

About 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide

3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide (PubChem CID 143636816) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide
PubChem CID143636816
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(N)=O)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-7-6-14-10(11(13)18)12(15-7)16-8-2-4-9(17)5-3-8/h6,8-9,17H,2-5H2,1H3,(H2,13,18)(H,15,16)
InChIKeyAFVPBRBZTRTFTN-UHFFFAOYSA-N
XLogP0.60
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide?
The IUPAC name of 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide (CID 143636816) is 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(N)=O)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide?
The InChIKey is AFVPBRBZTRTFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-6-14-10(11(13)18)12(15-7)16-8-2-4-9(17)5-3-8/h6,8-9,17H,2-5H2,1H3,(H2,13,18)(H,15,16).
What are the key properties of 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide?
3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 143636816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).