N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

C17H25N5 — CID 71885724

IUPACN-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC3CCCCCCC3)n2)n1
InChIInChI=1S/C17H25N5/c1-13-10-14(2)22(21-13)17-12-18-11-16(20-17)19-15-8-6-4-3-5-7-9-15/h10-12,15H,3-9H2,1-2H3,(H,19,20)
InChIKeyAICWXMUPBKWNPV-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.80
Rot. Bonds3

About N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 71885724) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
PubChem CID71885724
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC3CCCCCCC3)n2)n1
InChIInChI=1S/C17H25N5/c1-13-10-14(2)22(21-13)17-12-18-11-16(20-17)19-15-8-6-4-3-5-7-9-15/h10-12,15H,3-9H2,1-2H3,(H,19,20)
InChIKeyAICWXMUPBKWNPV-UHFFFAOYSA-N
XLogP3.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(2-methylcyclohexyl)pyrazin-2-amine
CID 133273883
N-(2-cyclopentyloxycyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71907167
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 56823393
methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 133284189
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
CID 133284396
1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305589
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133283073
N-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
CID 578915
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
CID 80785345
N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
CID 127282369
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (CID 71885724) is N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NC3CCCCCCC3)n2)n1.
What is the InChIKey of N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is AICWXMUPBKWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-10-14(2)22(21-13)17-12-18-11-16(20-17)19-15-8-6-4-3-5-7-9-15/h10-12,15H,3-9H2,1-2H3,(H,19,20).
What are the key properties of N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 71885724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).