N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline

C15H17N7 — CID 67558320

IUPACN-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline
SMILESNNc1ncnc2c1cnn2-c1cccc(NCC2CC2)c1
InChIInChI=1S/C15H17N7/c16-21-14-13-8-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)17-7-10-4-5-10/h1-3,6,8-10,17H,4-5,7,16H2,(H,18,19,21)
InChIKeyRLSGSEATDAOKGB-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.92
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline

N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline (PubChem CID 67558320) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline
PubChem CID67558320
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC NameN-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline
SMILESNNc1ncnc2c1cnn2-c1cccc(NCC2CC2)c1
InChIInChI=1S/C15H17N7/c16-21-14-13-8-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)17-7-10-4-5-10/h1-3,6,8-10,17H,4-5,7,16H2,(H,18,19,21)
InChIKeyRLSGSEATDAOKGB-UHFFFAOYSA-N
XLogP1.92
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline (CID 67558320) is N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline is NNc1ncnc2c1cnn2-c1cccc(NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline?
The InChIKey is RLSGSEATDAOKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c16-21-14-13-8-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)17-7-10-4-5-10/h1-3,6,8-10,17H,4-5,7,16H2,(H,18,19,21).
What are the key properties of N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline?
N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline has a molecular weight of 295.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline is sourced from PubChem (CID 67558320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).