N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C15H14N8 — CID 133365495

IUPACN-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2[nH]ncc12)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H14N8/c1-10(19-14-12-7-18-21-15(12)17-9-16-14)13-8-23(22-20-13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19,21)
InChIKeySUPGWZQDRZOYSP-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133365495) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133365495
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC NameN-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2[nH]ncc12)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H14N8/c1-10(19-14-12-7-18-21-15(12)17-9-16-14)13-8-23(22-20-13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19,21)
InChIKeySUPGWZQDRZOYSP-UHFFFAOYSA-N
XLogP2.11
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133365495) is N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(Nc1ncnc2[nH]ncc12)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SUPGWZQDRZOYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c1-10(19-14-12-7-18-21-15(12)17-9-16-14)13-8-23(22-20-13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19,21).
What are the key properties of N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 306.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133365495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).