5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile

C10H12N6 — CID 133299897

IUPAC5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile
SMILESN#CCCCCNc1ncnc2[nH]ncc12
InChIInChI=1S/C10H12N6/c11-4-2-1-3-5-12-9-8-6-15-16-10(8)14-7-13-9/h6-7H,1-3,5H2,(H2,12,13,14,15,16)
InChIKeyWTJMUOWXVMQYBE-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.46
Rot. Bonds5

About 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile

5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile (PubChem CID 133299897) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile
PubChem CID133299897
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile
SMILESN#CCCCCNc1ncnc2[nH]ncc12
InChIInChI=1S/C10H12N6/c11-4-2-1-3-5-12-9-8-6-15-16-10(8)14-7-13-9/h6-7H,1-3,5H2,(H2,12,13,14,15,16)
InChIKeyWTJMUOWXVMQYBE-UHFFFAOYSA-N
XLogP1.46
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133305074
N-(2-cyclopropylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133324202
N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133295919
N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 97320360
N-[3-(oxolan-3-yloxy)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 75482302
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299937
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile?
The IUPAC name of 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile (CID 133299897) is 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile.
What is the SMILES notation for 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile?
The canonical SMILES for 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile is N#CCCCCNc1ncnc2[nH]ncc12.
What is the InChIKey of 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile?
The InChIKey is WTJMUOWXVMQYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c11-4-2-1-3-5-12-9-8-6-15-16-10(8)14-7-13-9/h6-7H,1-3,5H2,(H2,12,13,14,15,16).
What are the key properties of 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile?
5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile has a molecular weight of 216.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile is sourced from PubChem (CID 133299897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).