N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine

C15H21N5O — CID 90704360

IUPACN-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCCCC3)c(CN=O)cnc21
InChIInChI=1S/C15H21N5O/c1-2-20-15-13(10-17-20)14(11(8-16-15)9-18-21)19-12-6-4-3-5-7-12/h8,10,12H,2-7,9H2,1H3,(H,16,19)
InChIKeyRVXOCNHMFMDNBZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.46
Rot. Bonds5

About N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine

N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 90704360) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID90704360
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCCCC3)c(CN=O)cnc21
InChIInChI=1S/C15H21N5O/c1-2-20-15-13(10-17-20)14(11(8-16-15)9-18-21)19-12-6-4-3-5-7-12/h8,10,12H,2-7,9H2,1H3,(H,16,19)
InChIKeyRVXOCNHMFMDNBZ-UHFFFAOYSA-N
XLogP3.46
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine (CID 90704360) is N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NC3CCCCC3)c(CN=O)cnc21.
What is the InChIKey of N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is RVXOCNHMFMDNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-20-15-13(10-17-20)14(11(8-16-15)9-18-21)19-12-6-4-3-5-7-12/h8,10,12H,2-7,9H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine?
N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-5-(nitrosomethyl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 90704360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).