N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide

C10H16N8O3 — CID 175018315

IUPACN-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NO)c1nonc1NCCn1cc(C(C)O)nn1
InChIInChI=1S/C10H16N8O3/c1-6(19)7-5-18(17-13-7)4-3-12-10-8(15-21-16-10)9(11-2)14-20/h5-6,19-20H,3-4H2,1-2H3,(H,11,14)(H,12,16)
InChIKeyYDMWPBYHVYVEOE-UHFFFAOYSA-N
MW296.29 g/mol
LogP-0.82
Rot. Bonds6

About N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide

N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 175018315) has the molecular formula C10H16N8O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
PubChem CID175018315
Molecular FormulaC10H16N8O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NO)c1nonc1NCCn1cc(C(C)O)nn1
InChIInChI=1S/C10H16N8O3/c1-6(19)7-5-18(17-13-7)4-3-12-10-8(15-21-16-10)9(11-2)14-20/h5-6,19-20H,3-4H2,1-2H3,(H,11,14)(H,12,16)
InChIKeyYDMWPBYHVYVEOE-UHFFFAOYSA-N
XLogP-0.82
TPSA146.51 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide (CID 175018315) is N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide is C/N=C(\NO)c1nonc1NCCn1cc(C(C)O)nn1.
What is the InChIKey of N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is YDMWPBYHVYVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O3/c1-6(19)7-5-18(17-13-7)4-3-12-10-8(15-21-16-10)9(11-2)14-20/h5-6,19-20H,3-4H2,1-2H3,(H,11,14)(H,12,16).
What are the key properties of N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide?
N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 296.29 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylamino]-N'-methyl-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 175018315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).