N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine

C6H10N4O — CID 152759396

IUPACN-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine
SMILESCC(C)(C=NO)n1ccnn1
InChIInChI=1S/C6H10N4O/c1-6(2,5-8-11)10-4-3-7-9-10/h3-5,11H,1-2H3
InChIKeyWOWIJUFBBBWADM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.47
Rot. Bonds2

About N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine

N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine (PubChem CID 152759396) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine
PubChem CID152759396
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine
SMILESCC(C)(C=NO)n1ccnn1
InChIInChI=1S/C6H10N4O/c1-6(2,5-8-11)10-4-3-7-9-10/h3-5,11H,1-2H3
InChIKeyWOWIJUFBBBWADM-UHFFFAOYSA-N
XLogP0.47
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(2R)-2-amino-2-(triazol-1-yl)propanoic acid
CID 91491441
[[2-methyl-2-(triazol-1-yl)butylidene]amino] N-methylcarbamate
CID 54217361
N-[2-(3-chloro-1,2,4-triazol-1-yl)-2-methylpropylidene]hydroxylamine
CID 152759400
1-(4-ethylsulfanyl-2,4-dimethylpentan-2-yl)triazole
CID 91309072
3,3-dimethyl-1-(triazol-1-yl)butan-2-one
CID 19813968
N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide
CID 135603899
bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene
CID 159088456
1-[1-(4-chlorophenoxy)-3,3-dimethylbut-1-enyl]triazole
CID 70517047
1-tert-butyl-4-deuteriotriazole
CID 59693804
N,N-dimethylformamide;1-hydroxytriazole
CID 174891213
tert-butyl 3-(triazol-1-yl)pyrrolidine-1-carboxylate
CID 19005932
triazol-1-ylmethyl 2,2-dimethylpropanoate
CID 142289422

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine?
The IUPAC name of N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine (CID 152759396) is N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine.
What is the SMILES notation for N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine?
The canonical SMILES for N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine is CC(C)(C=NO)n1ccnn1.
What is the InChIKey of N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine?
The InChIKey is WOWIJUFBBBWADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-6(2,5-8-11)10-4-3-7-9-10/h3-5,11H,1-2H3.
What are the key properties of N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine?
N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine has a molecular weight of 154.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine is sourced from PubChem (CID 152759396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).