N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H13N5 — CID 133322747

IUPACN-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC1=CCC(Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H13N5/c1-2-4-8(5-3-1)15-10-9-6-14-16-11(9)13-7-12-10/h1-2,6-8H,3-5H2,(H2,12,13,14,15,16)
InChIKeyIQBAGDRFXASNNN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.87
Rot. Bonds2

About N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133322747) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133322747
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC1=CCC(Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H13N5/c1-2-4-8(5-3-1)15-10-9-6-14-16-11(9)13-7-12-10/h1-2,6-8H,3-5H2,(H2,12,13,14,15,16)
InChIKeyIQBAGDRFXASNNN-UHFFFAOYSA-N
XLogP1.87
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133322747) is N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is C1=CCC(Nc2ncnc3[nH]ncc23)CC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IQBAGDRFXASNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-4-8(5-3-1)15-10-9-6-14-16-11(9)13-7-12-10/h1-2,6-8H,3-5H2,(H2,12,13,14,15,16).
What are the key properties of N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133322747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).