6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine

C14H20N6O — CID 133484872

IUPAC6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
SMILESCn1ncnc1CNc1cncc(OC2CCCCC2)n1
InChIInChI=1S/C14H20N6O/c1-20-13(17-10-18-20)8-16-12-7-15-9-14(19-12)21-11-5-3-2-4-6-11/h7,9-11H,2-6,8H2,1H3,(H,16,19)
InChIKeyDEPVAXUMSUYJNJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.93
Rot. Bonds5

About 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine

6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine (PubChem CID 133484872) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
PubChem CID133484872
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
SMILESCn1ncnc1CNc1cncc(OC2CCCCC2)n1
InChIInChI=1S/C14H20N6O/c1-20-13(17-10-18-20)8-16-12-7-15-9-14(19-12)21-11-5-3-2-4-6-11/h7,9-11H,2-6,8H2,1H3,(H,16,19)
InChIKeyDEPVAXUMSUYJNJ-UHFFFAOYSA-N
XLogP1.93
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine (CID 133484872) is 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine is Cn1ncnc1CNc1cncc(OC2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The InChIKey is DEPVAXUMSUYJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-20-13(17-10-18-20)8-16-12-7-15-9-14(19-12)21-11-5-3-2-4-6-11/h7,9-11H,2-6,8H2,1H3,(H,16,19).
What are the key properties of 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133484872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).