N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide

C12H17N7O — CID 136824794

IUPACN'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1CNCCCn1ccnn1
InChIInChI=1S/C12H17N7O/c13-12(17-20)11-10(3-1-5-15-11)9-14-4-2-7-19-8-6-16-18-19/h1,3,5-6,8,14,20H,2,4,7,9H2,(H2,13,17)
InChIKeyPHMOAOCQGGXAQG-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.05
Rot. Bonds7

About N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide

N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide (PubChem CID 136824794) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide
PubChem CID136824794
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC NameN'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1CNCCCn1ccnn1
InChIInChI=1S/C12H17N7O/c13-12(17-20)11-10(3-1-5-15-11)9-14-4-2-7-19-8-6-16-18-19/h1,3,5-6,8,14,20H,2,4,7,9H2,(H2,13,17)
InChIKeyPHMOAOCQGGXAQG-UHFFFAOYSA-N
XLogP-0.05
TPSA114.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
CID 136824793
4-[[3-(triazol-1-yl)propylamino]methyl]benzene-1,2,3-triol
CID 107731008
N'-hydroxy-3-methyl-4-[[2-(triazol-1-yl)ethylamino]methyl]benzenecarboximidamide
CID 114483081
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186
N'-hydroxy-3-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyridine-2-carboximidamide
CID 136690664
3-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136864271
3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136701807
3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136857168
N'-hydroxy-3-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711899
3-[(2,6-dibromoanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136716818
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide (CID 136824794) is N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide is N/C(=N/O)c1ncccc1CNCCCn1ccnn1.
What is the InChIKey of N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is PHMOAOCQGGXAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c13-12(17-20)11-10(3-1-5-15-11)9-14-4-2-7-19-8-6-16-18-19/h1,3,5-6,8,14,20H,2,4,7,9H2,(H2,13,17).
What are the key properties of N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 275.32 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136824794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).