formonitrile;1H-pyrazolo[4,3-d]pyrimidine

C6H5N5 — CID 159271837

IUPACformonitrile;1H-pyrazolo[4,3-d]pyrimidine
SMILESC#N.c1ncc2[nH]ncc2n1
InChIInChI=1S/C5H4N4.CHN/c1-5-4(2-8-9-5)7-3-6-1;1-2/h1-3H,(H,8,9);1H
InChIKeyKXUUHPWTRDLVLJ-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.49
Rot. Bonds

About formonitrile;1H-pyrazolo[4,3-d]pyrimidine

formonitrile;1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 159271837) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is formonitrile;1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Nameformonitrile;1H-pyrazolo[4,3-d]pyrimidine
PubChem CID159271837
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Nameformonitrile;1H-pyrazolo[4,3-d]pyrimidine
SMILESC#N.c1ncc2[nH]ncc2n1
InChIInChI=1S/C5H4N4.CHN/c1-5-4(2-8-9-5)7-3-6-1;1-2/h1-3H,(H,8,9);1H
InChIKeyKXUUHPWTRDLVLJ-UHFFFAOYSA-N
XLogP0.49
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
CID 144792699
6-chloro-1H-pyrazolo[4,5-b]pyridine
CID 70700258
5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 164538697
6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
CID 169477478
methanol;1H-pyrazolo[3,4-d]pyrimidine
CID 158521229
carbonic acid;5H-pyrrolo[3,2-d]pyrimidine
CID 174832264
azetidine;5H-pyrrolo[3,2-d]pyrimidine
CID 174391261
3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide
CID 174626130
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[4,5-b]pyridine
CID 163198769
7H-purine;trihydrochloride
CID 141012213
N-methyl-1H-pyrazolo[4,5-b]pyridin-5-amine
CID 144643083
1H-pyrazolo[4,5-c]pyridazine
CID 54448404

Frequently Asked Questions

What is the IUPAC name of formonitrile;1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of formonitrile;1H-pyrazolo[4,3-d]pyrimidine (CID 159271837) is formonitrile;1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for formonitrile;1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for formonitrile;1H-pyrazolo[4,3-d]pyrimidine is C#N.c1ncc2[nH]ncc2n1.
What is the InChIKey of formonitrile;1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is KXUUHPWTRDLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.CHN/c1-5-4(2-8-9-5)7-3-6-1;1-2/h1-3H,(H,8,9);1H.
What are the key properties of formonitrile;1H-pyrazolo[4,3-d]pyrimidine?
formonitrile;1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 147.14 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 159271837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).