N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide

C5H8N6O3 — CID 106173729

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1nn[nH]n1
InChIInChI=1S/C5H8N6O3/c6-3(13)2(12)1-7-5(14)4-8-10-11-9-4/h2,12H,1H2,(H2,6,13)(H,7,14)(H,8,9,10,11)
InChIKeyPLQZITSJSXYSIU-UHFFFAOYSA-N
MW200.16 g/mol
LogP-3.22
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide (PubChem CID 106173729) has the molecular formula C5H8N6O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide
PubChem CID106173729
Molecular FormulaC5H8N6O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1nn[nH]n1
InChIInChI=1S/C5H8N6O3/c6-3(13)2(12)1-7-5(14)4-8-10-11-9-4/h2,12H,1H2,(H2,6,13)(H,7,14)(H,8,9,10,11)
InChIKeyPLQZITSJSXYSIU-UHFFFAOYSA-N
XLogP-3.22
TPSA146.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-3.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide (CID 106173729) is N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide is NC(=O)C(O)CNC(=O)c1nn[nH]n1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide?
The InChIKey is PLQZITSJSXYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O3/c6-3(13)2(12)1-7-5(14)4-8-10-11-9-4/h2,12H,1H2,(H2,6,13)(H,7,14)(H,8,9,10,11).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide has a molecular weight of 200.16 g/mol, XLogP of -3.22, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 106173729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).