N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine

C16H23N5 — CID 71891701

IUPACN-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine
SMILESc1cnn(-c2cncc(NCC3CCCCCCC3)n2)c1
InChIInChI=1S/C16H23N5/c1-2-4-7-14(8-5-3-1)11-18-15-12-17-13-16(20-15)21-10-6-9-19-21/h6,9-10,12-14H,1-5,7-8,11H2,(H,18,20)
InChIKeyUWTQWSQGMWAFPY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds4

About N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine

N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine (PubChem CID 71891701) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine
PubChem CID71891701
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine
SMILESc1cnn(-c2cncc(NCC3CCCCCCC3)n2)c1
InChIInChI=1S/C16H23N5/c1-2-4-7-14(8-5-3-1)11-18-15-12-17-13-16(20-15)21-10-6-9-19-21/h6,9-10,12-14H,1-5,7-8,11H2,(H,18,20)
InChIKeyUWTQWSQGMWAFPY-UHFFFAOYSA-N
XLogP3.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine (CID 71891701) is N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine is c1cnn(-c2cncc(NCC3CCCCCCC3)n2)c1.
What is the InChIKey of N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is UWTQWSQGMWAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-4-7-14(8-5-3-1)11-18-15-12-17-13-16(20-15)21-10-6-9-19-21/h6,9-10,12-14H,1-5,7-8,11H2,(H,18,20).
What are the key properties of N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine?
N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 71891701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).