carbonic acid;quinoxalin-2-amine

C9H9N3O3 — CID 174967362

IUPACcarbonic acid;quinoxalin-2-amine
SMILESNc1cnc2ccccc2n1.O=C(O)O
InChIInChI=1S/C8H7N3.CH2O3/c9-8-5-10-6-3-1-2-4-7(6)11-8;2-1(3)4/h1-5H,(H2,9,11);(H2,2,3,4)
InChIKeyZGXHSHTWJSTVJG-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.43
Rot. Bonds

About carbonic acid;quinoxalin-2-amine

carbonic acid;quinoxalin-2-amine (PubChem CID 174967362) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is carbonic acid;quinoxalin-2-amine.

Molecular Properties

Compound Namecarbonic acid;quinoxalin-2-amine
PubChem CID174967362
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Namecarbonic acid;quinoxalin-2-amine
SMILESNc1cnc2ccccc2n1.O=C(O)O
InChIInChI=1S/C8H7N3.CH2O3/c9-8-5-10-6-3-1-2-4-7(6)11-8;2-1(3)4/h1-5H,(H2,9,11);(H2,2,3,4)
InChIKeyZGXHSHTWJSTVJG-UHFFFAOYSA-N
XLogP1.43
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 174627542
azane;quinoxalin-2-amine
CID 172829613
3-amino-1,5-benzodiazepin-2-one
CID 54546721
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 66724598
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
3-quinoxalin-2-ylbutan-2-one
CID 63196763
(2S)-2-phenyl-2-quinoxalin-2-ylsulfanylacetic acid
CID 736253
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
(2Z)-2-hydroxyimino-1-quinoxalin-2-ylethanone
CID 27191067

Frequently Asked Questions

What is the IUPAC name of carbonic acid;quinoxalin-2-amine?
The IUPAC name of carbonic acid;quinoxalin-2-amine (CID 174967362) is carbonic acid;quinoxalin-2-amine.
What is the SMILES notation for carbonic acid;quinoxalin-2-amine?
The canonical SMILES for carbonic acid;quinoxalin-2-amine is Nc1cnc2ccccc2n1.O=C(O)O.
What is the InChIKey of carbonic acid;quinoxalin-2-amine?
The InChIKey is ZGXHSHTWJSTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.CH2O3/c9-8-5-10-6-3-1-2-4-7(6)11-8;2-1(3)4/h1-5H,(H2,9,11);(H2,2,3,4).
What are the key properties of carbonic acid;quinoxalin-2-amine?
carbonic acid;quinoxalin-2-amine has a molecular weight of 207.19 g/mol, XLogP of 1.43, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;quinoxalin-2-amine is sourced from PubChem (CID 174967362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).