N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide

C5H9N5O2 — CID 137263652

IUPACN',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide
SMILESCN(C)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H9N5O2/c1-10(2)9-4(11)3-6-5(12)8-7-3/h1-2H3,(H,9,11)(H2,6,7,8,12)
InChIKeyNAYIMNUUSSHRCO-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.70
Rot. Bonds2

About N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide

N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide (PubChem CID 137263652) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide
PubChem CID137263652
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC NameN',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide
SMILESCN(C)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H9N5O2/c1-10(2)9-4(11)3-6-5(12)8-7-3/h1-2H3,(H,9,11)(H2,6,7,8,12)
InChIKeyNAYIMNUUSSHRCO-UHFFFAOYSA-N
XLogP-1.70
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Dimethylamino-6-azauracil
CID 267906
6-(Methylamino)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
CID 1270103
N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137030761
N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137274277
N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142157801
1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide
CID 148529716
1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 155646204
1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 172235964
4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide
CID 174883158
ethane;6-(methylamino)-2H-1,2,4-triazine-3,5-dione
CID 178683657
6-(2,2-dimethylhydrazinyl)-2H-1,2,4-triazine-3,5-dione
CID 83025629
N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832052

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide (CID 137263652) is N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide is CN(C)NC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide?
The InChIKey is NAYIMNUUSSHRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-10(2)9-4(11)3-6-5(12)8-7-3/h1-2H3,(H,9,11)(H2,6,7,8,12).
What are the key properties of N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide?
N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide has a molecular weight of 171.16 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 137263652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).