N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide

C11H11N7O3 — CID 4654455

IUPACN'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide
SMILESC=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1cccnc1
InChIInChI=1S/C11H11N7O3/c1-8(6-17-7-13-11(16-17)18(20)21)14-15-10(19)9-3-2-4-12-5-9/h2-5,7,14H,1,6H2,(H,15,19)
InChIKeyLNRKPTQQOBAAIM-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.03
Rot. Bonds6

About N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide

N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide (PubChem CID 4654455) has the molecular formula C11H11N7O3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide
PubChem CID4654455
Molecular FormulaC11H11N7O3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide
SMILESC=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1cccnc1
InChIInChI=1S/C11H11N7O3/c1-8(6-17-7-13-11(16-17)18(20)21)14-15-10(19)9-3-2-4-12-5-9/h2-5,7,14H,1,6H2,(H,15,19)
InChIKeyLNRKPTQQOBAAIM-UHFFFAOYSA-N
XLogP0.03
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]pyridine-3-carbohydrazide
CID 29435870
N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 26641123
1-(3-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 62023816
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
1-propan-2-yl-N'-(pyridine-3-carbonyl)pyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 42157844
N-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 2918860
N-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 60505999
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
CID 42063957
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
CID 23300028
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide (CID 4654455) is N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide is C=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide?
The InChIKey is LNRKPTQQOBAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O3/c1-8(6-17-7-13-11(16-17)18(20)21)14-15-10(19)9-3-2-4-12-5-9/h2-5,7,14H,1,6H2,(H,15,19).
What are the key properties of N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide?
N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide has a molecular weight of 289.25 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 4654455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).