6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile

C7H5N5 — CID 594341

IUPAC6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile
SMILESN#Cc1c(N)cnc2ccnn12
InChIInChI=1S/C7H5N5/c8-3-6-5(9)4-10-7-1-2-11-12(6)7/h1-2,4H,9H2
InChIKeyDVWWNQQFZHAOAS-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.18
Rot. Bonds

About 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile

6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile (PubChem CID 594341) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile
PubChem CID594341
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile
SMILESN#Cc1c(N)cnc2ccnn12
InChIInChI=1S/C7H5N5/c8-3-6-5(9)4-10-7-1-2-11-12(6)7/h1-2,4H,9H2
InChIKeyDVWWNQQFZHAOAS-UHFFFAOYSA-N
XLogP0.18
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile?
The IUPAC name of 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile (CID 594341) is 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile.
What is the SMILES notation for 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile?
The canonical SMILES for 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile is N#Cc1c(N)cnc2ccnn12.
What is the InChIKey of 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile?
The InChIKey is DVWWNQQFZHAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c8-3-6-5(9)4-10-7-1-2-11-12(6)7/h1-2,4H,9H2.
What are the key properties of 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile?
6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile is sourced from PubChem (CID 594341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).