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

C7H5N5 — CID 2807616

IUPAC7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2ccnn2c1N
InChIInChI=1S/C7H5N5/c8-3-5-4-10-6-1-2-11-12(6)7(5)9/h1-2,4H,9H2
InChIKeyXBKLUCYMMSKAEI-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.18
Rot. Bonds

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

7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 2807616) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID2807616
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2ccnn2c1N
InChIInChI=1S/C7H5N5/c8-3-5-4-10-6-1-2-11-12(6)7(5)9/h1-2,4H,9H2
InChIKeyXBKLUCYMMSKAEI-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 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 2807616) is 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2ccnn2c1N.
What is the InChIKey of 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is XBKLUCYMMSKAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c8-3-5-4-10-6-1-2-11-12(6)7(5)9/h1-2,4H,9H2.
What are the key properties of 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-aminopyrazolo[1,5-a]pyrimidine-6-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 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2807616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).