N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine

C12H15N5O — CID 86636867

IUPACN-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine
SMILESCCn1ncc2c(NC3CC3)c(C=NO)cnc21
InChIInChI=1S/C12H15N5O/c1-2-17-12-10(7-14-17)11(16-9-3-4-9)8(5-13-12)6-15-18/h5-7,9,18H,2-4H2,1H3,(H,13,16)
InChIKeyHBWKCUWXXHRWAO-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.83
Rot. Bonds4

About N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine

N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine (PubChem CID 86636867) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine
PubChem CID86636867
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine
SMILESCCn1ncc2c(NC3CC3)c(C=NO)cnc21
InChIInChI=1S/C12H15N5O/c1-2-17-12-10(7-14-17)11(16-9-3-4-9)8(5-13-12)6-15-18/h5-7,9,18H,2-4H2,1H3,(H,13,16)
InChIKeyHBWKCUWXXHRWAO-UHFFFAOYSA-N
XLogP1.83
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine (CID 86636867) is N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine is CCn1ncc2c(NC3CC3)c(C=NO)cnc21.
What is the InChIKey of N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine?
The InChIKey is HBWKCUWXXHRWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-17-12-10(7-14-17)11(16-9-3-4-9)8(5-13-12)6-15-18/h5-7,9,18H,2-4H2,1H3,(H,13,16).
What are the key properties of N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine?
N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine has a molecular weight of 245.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 86636867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).