N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide

C5H11N5O2S — CID 130198470

IUPACN'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide
SMILESCC(C)NNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H11N5O2S/c1-4(2)8-10-13(11,12)5-6-3-7-9-5/h3-4,8,10H,1-2H3,(H,6,7,9)
InChIKeyVTRVJLYMURLPKW-UHFFFAOYSA-N
MW205.24 g/mol
LogP-1.00
Rot. Bonds4

About N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide

N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide (PubChem CID 130198470) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide.

Molecular Properties

Compound NameN'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide
PubChem CID130198470
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC NameN'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide
SMILESCC(C)NNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H11N5O2S/c1-4(2)8-10-13(11,12)5-6-3-7-9-5/h3-4,8,10H,1-2H3,(H,6,7,9)
InChIKeyVTRVJLYMURLPKW-UHFFFAOYSA-N
XLogP-1.00
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-1H-1,2,4-triazole-5-sulfonamide
CID 551666
N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide
CID 4018351
N-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-sulfonamide
CID 3884828
N,N-dipropyl-1H-1,2,4-triazole-5-sulfonamide
CID 778144
1,2,4-1H-Triazole-5-sulfonamide, N-butyl-
CID 595059
N-ethyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide
CID 21324352
N-butyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide
CID 21324356
N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide
CID 21324359
N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide
CID 21324370
N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide
CID 21324403
N-butan-2-yl-N-methyl-1H-1,2,4-triazole-5-sulfonamide
CID 21324407
N-methyl-N-(2-methylpropyl)-1H-1,2,4-triazole-5-sulfonamide
CID 21324442

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
The IUPAC name of N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide (CID 130198470) is N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide.
What is the SMILES notation for N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
The canonical SMILES for N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide is CC(C)NNS(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
The InChIKey is VTRVJLYMURLPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-4(2)8-10-13(11,12)5-6-3-7-9-5/h3-4,8,10H,1-2H3,(H,6,7,9).
What are the key properties of N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide has a molecular weight of 205.24 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide is sourced from PubChem (CID 130198470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).