disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate

C12H7N5Na2O3 — CID 140677690

IUPACdisodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
SMILESO=C([O-])c1cnc(Nc2ccc3[nH]ncc3c2)nc1[O-].[Na+].[Na+]
InChIInChI=1S/C12H9N5O3.2Na/c18-10-8(11(19)20)5-13-12(16-10)15-7-1-2-9-6(3-7)4-14-17-9;;/h1-5H,(H,14,17)(H,19,20)(H2,13,15,16,18);;/q;2*+1/p-2
InChIKeyOFRMCTKIXNTUAC-UHFFFAOYSA-L
MW315.20 g/mol
LogP-6.46
Rot. Bonds3

About disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate

disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate (PubChem CID 140677690) has the molecular formula C12H7N5Na2O3 and a molecular weight of 315.20 g/mol. Its IUPAC name is disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate.

Molecular Properties

Compound Namedisodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
PubChem CID140677690
Molecular FormulaC12H7N5Na2O3
Molecular Weight315.20 g/mol
Exact Mass315.03
IUPAC Namedisodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
SMILESO=C([O-])c1cnc(Nc2ccc3[nH]ncc3c2)nc1[O-].[Na+].[Na+]
InChIInChI=1S/C12H9N5O3.2Na/c18-10-8(11(19)20)5-13-12(16-10)15-7-1-2-9-6(3-7)4-14-17-9;;/h1-5H,(H,14,17)(H,19,20)(H2,13,15,16,18);;/q;2*+1/p-2
InChIKeyOFRMCTKIXNTUAC-UHFFFAOYSA-L
XLogP-6.46
TPSA129.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 5-6.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate
CID 148771208
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
N-[3-[[2-(1H-indazol-5-ylamino)-5-iodopyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 147749159
5-(sulfinoamino)-1H-indazole
CID 68877895
2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide
CID 22933833
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one
CID 163633208
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098

Frequently Asked Questions

What is the IUPAC name of disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate?
The IUPAC name of disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate (CID 140677690) is disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate.
What is the SMILES notation for disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate?
The canonical SMILES for disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate is O=C([O-])c1cnc(Nc2ccc3[nH]ncc3c2)nc1[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate?
The InChIKey is OFRMCTKIXNTUAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H9N5O3.2Na/c18-10-8(11(19)20)5-13-12(16-10)15-7-1-2-9-6(3-7)4-14-17-9;;/h1-5H,(H,14,17)(H,19,20)(H2,13,15,16,18);;/q;2*+1/p-2.
What are the key properties of disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate?
disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate has a molecular weight of 315.20 g/mol, XLogP of -6.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate is sourced from PubChem (CID 140677690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).