N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide

C11H15N7O — CID 136824793

IUPACN'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNCCn2ccnn2)ccn1
InChIInChI=1S/C11H15N7O/c12-11(16-19)10-7-9(1-2-14-10)8-13-3-5-18-6-4-15-17-18/h1-2,4,6-7,13,19H,3,5,8H2,(H2,12,16)
InChIKeyQGZVMFWYFOMCPZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.44
Rot. Bonds6

About N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide (PubChem CID 136824793) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
PubChem CID136824793
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(CNCCn2ccnn2)ccn1
InChIInChI=1S/C11H15N7O/c12-11(16-19)10-7-9(1-2-14-10)8-13-3-5-18-6-4-15-17-18/h1-2,4,6-7,13,19H,3,5,8H2,(H2,12,16)
InChIKeyQGZVMFWYFOMCPZ-UHFFFAOYSA-N
XLogP-0.44
TPSA114.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.44
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'}

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Related Compounds

N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
N'-hydroxy-3-methyl-4-[[2-(triazol-1-yl)ethylamino]methyl]benzenecarboximidamide
CID 114483081
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
N'-hydroxy-3-[[3-(triazol-1-yl)propylamino]methyl]pyridine-2-carboximidamide
CID 136824794
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
3-[[2-(triazol-1-yl)ethylamino]methyl]benzoic acid
CID 103263491
N-[(3,5-dimethylphenyl)methyl]-2-(triazol-1-yl)ethanamine
CID 113375127
N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide (CID 136824793) is N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide is N/C(=N/O)c1cc(CNCCn2ccnn2)ccn1.
What is the InChIKey of N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is QGZVMFWYFOMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-11(16-19)10-7-9(1-2-14-10)8-13-3-5-18-6-4-15-17-18/h1-2,4,6-7,13,19H,3,5,8H2,(H2,12,16).
What are the key properties of N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 261.29 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136824793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).