3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide

C10H12N4O3 — CID 171868406

IUPAC3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C10H12N4O3/c11-9-5-2-1-4(3-6(5)13-14-9)7(15)8(16)10(12)17/h1-3,7-8,15-16H,(H2,12,17)(H3,11,13,14)
InChIKeyNXTLSVRADJYECS-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.98
Rot. Bonds3

About 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide

3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide (PubChem CID 171868406) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide
PubChem CID171868406
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C10H12N4O3/c11-9-5-2-1-4(3-6(5)13-14-9)7(15)8(16)10(12)17/h1-3,7-8,15-16H,(H2,12,17)(H3,11,13,14)
InChIKeyNXTLSVRADJYECS-UHFFFAOYSA-N
XLogP-0.98
TPSA138.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258
3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide
CID 171868914
3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide
CID 171869003
3-(3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869213
3-amino-1H-indazole-6-carbohydrazide
CID 134128554
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
3-(5-amino-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867613
methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)benzoate
CID 171868834
ethane;6-methyl-1H-indazol-3-amine
CID 143489720
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
CID 171868354
(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride
CID 139271483

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide (CID 171868406) is 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc2c(N)n[nH]c2c1.
What is the InChIKey of 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide?
The InChIKey is NXTLSVRADJYECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-9-5-2-1-4(3-6(5)13-14-9)7(15)8(16)10(12)17/h1-3,7-8,15-16H,(H2,12,17)(H3,11,13,14).
What are the key properties of 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide?
3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide has a molecular weight of 236.23 g/mol, XLogP of -0.98, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).