CID 175999916

C6H5N3NaO — CID 175999916

IUPAC—
SMILESO=c1ccnc2cc[nH]n12.[Na]
InChIInChI=1S/C6H5N3O.Na/c10-6-2-3-7-5-1-4-8-9(5)6;/h1-4,8H;
InChIKeyNUZGELVKQJWXLC-UHFFFAOYSA-N
MW158.12 g/mol
LogP-0.36
Rot. Bonds

About CID 175999916

CID 175999916 (PubChem CID 175999916) has the molecular formula C6H5N3NaO and a molecular weight of 158.12 g/mol.

Molecular Properties

Compound NameCID 175999916
PubChem CID175999916
Molecular FormulaC6H5N3NaO
Molecular Weight158.12 g/mol
Exact Mass158.03
IUPAC Name—
SMILESO=c1ccnc2cc[nH]n12.[Na]
InChIInChI=1S/C6H5N3O.Na/c10-6-2-3-7-5-1-4-8-9(5)6;/h1-4,8H;
InChIKeyNUZGELVKQJWXLC-UHFFFAOYSA-N
XLogP-0.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo[1,5-a]pyrimidin-7-ol
CID 335418
5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10534815
5-(aminomethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 84048439
Pyrazolo(3,2-c)(1,2,4)triazin-4-ol
CID 13465976
5-chloro-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13465974
3-Bromo-4h-pyrazolo[1,5-a]pyrimidin-7-one
CID 83678939
5-(Azidomethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 137945328
6-Amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide
CID 154832824
5-Methoxypyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 11062736
5-Aminopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 13396556
2-Methylpyrazolo[1,5-A]pyrimidin-7(4H)-one
CID 15323003
Triazolo[1,5-a]pyrimidin-7-one
CID 18918841

Frequently Asked Questions

What is the IUPAC name of CID 175999916?
The IUPAC name of CID 175999916 (CID 175999916) is not available.
What is the SMILES notation for CID 175999916?
The canonical SMILES for CID 175999916 is O=c1ccnc2cc[nH]n12.[Na].
What is the InChIKey of CID 175999916?
The InChIKey is NUZGELVKQJWXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.Na/c10-6-2-3-7-5-1-4-8-9(5)6;/h1-4,8H;.
What are the key properties of CID 175999916?
CID 175999916 has a molecular weight of 158.12 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175999916 is sourced from PubChem (CID 175999916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).