N,N-dimethylformamide;1-hydroxytriazole

C5H10N4O2 — CID 174891213

IUPACN,N-dimethylformamide;1-hydroxytriazole
SMILESCN(C)C=O.On1ccnn1
InChIInChI=1S/C3H7NO.C2H3N3O/c1-4(2)3-5;6-5-2-1-3-4-5/h3H,1-2H3;1-2,6H
InChIKeyTYCYQGOTJNIROC-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.78
Rot. Bonds1

About N,N-dimethylformamide;1-hydroxytriazole

N,N-dimethylformamide;1-hydroxytriazole (PubChem CID 174891213) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is N,N-dimethylformamide;1-hydroxytriazole.

Molecular Properties

Compound NameN,N-dimethylformamide;1-hydroxytriazole
PubChem CID174891213
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC NameN,N-dimethylformamide;1-hydroxytriazole
SMILESCN(C)C=O.On1ccnn1
InChIInChI=1S/C3H7NO.C2H3N3O/c1-4(2)3-5;6-5-2-1-3-4-5/h3H,1-2H3;1-2,6H
InChIKeyTYCYQGOTJNIROC-UHFFFAOYSA-N
XLogP-0.78
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(dimethylamino)-2-(triazol-1-ylmethyl)prop-2-enoic acid
CID 174741915
CID 159352431
CID 159352431
N-methyl-N-[2-(triazol-1-yl)propyl]formamide
CID 90155563
N,N-dimethylformamide;molecular chlorine
CID 86751989
pentakis(N,N-dimethylformamide);ethane
CID 54023735
N,N-dimethylformamide;gold;hydrochloride
CID 174891065
potassium;N,N-dimethylformamide;iodide
CID 87701364
N,N-dimethylformamide;methanethiol
CID 86741828
CID 175333596
CID 175333596
carboxy(triazol-1-yl)carbamic acid
CID 67445650
N,N-dimethylformamide;hydroxy(oxo)nickel
CID 174946011
calcium;N,N-dimethylformamide;hydride;hydrate
CID 175068153

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1-hydroxytriazole?
The IUPAC name of N,N-dimethylformamide;1-hydroxytriazole (CID 174891213) is N,N-dimethylformamide;1-hydroxytriazole.
What is the SMILES notation for N,N-dimethylformamide;1-hydroxytriazole?
The canonical SMILES for N,N-dimethylformamide;1-hydroxytriazole is CN(C)C=O.On1ccnn1.
What is the InChIKey of N,N-dimethylformamide;1-hydroxytriazole?
The InChIKey is TYCYQGOTJNIROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H3N3O/c1-4(2)3-5;6-5-2-1-3-4-5/h3H,1-2H3;1-2,6H.
What are the key properties of N,N-dimethylformamide;1-hydroxytriazole?
N,N-dimethylformamide;1-hydroxytriazole has a molecular weight of 158.16 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1-hydroxytriazole is sourced from PubChem (CID 174891213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).