N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide

C10H18N6O2 — CID 135438153

IUPACN'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide
SMILESCCCCCCC(=O)NNc1nnc(N)[nH]c1=O
InChIInChI=1S/C10H18N6O2/c1-2-3-4-5-6-7(17)13-14-8-9(18)12-10(11)16-15-8/h2-6H2,1H3,(H,13,17)(H,14,15)(H3,11,12,16,18)
InChIKeyYQHJZYCGOJSWGY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.16
Rot. Bonds7

About N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide

N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide (PubChem CID 135438153) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide.

Molecular Properties

Compound NameN'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide
PubChem CID135438153
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC NameN'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide
SMILESCCCCCCC(=O)NNc1nnc(N)[nH]c1=O
InChIInChI=1S/C10H18N6O2/c1-2-3-4-5-6-7(17)13-14-8-9(18)12-10(11)16-15-8/h2-6H2,1H3,(H,13,17)(H,14,15)(H3,11,12,16,18)
InChIKeyYQHJZYCGOJSWGY-UHFFFAOYSA-N
XLogP0.16
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 65426818
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CID 71617932
2-(2-octacosanoylhydrazinyl)acetamide
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N'-propanoylundecanehydrazide
CID 174995270
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide
CID 114752029
N-carbamoyloctanamide
CID 24740663
ethane;N-methyltetradecanamide
CID 153349961
N'-(2-chloroacetyl)octanehydrazide
CID 5171797

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide?
The IUPAC name of N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide (CID 135438153) is N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide.
What is the SMILES notation for N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide?
The canonical SMILES for N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide is CCCCCCC(=O)NNc1nnc(N)[nH]c1=O.
What is the InChIKey of N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide?
The InChIKey is YQHJZYCGOJSWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-2-3-4-5-6-7(17)13-14-8-9(18)12-10(11)16-15-8/h2-6H2,1H3,(H,13,17)(H,14,15)(H3,11,12,16,18).
What are the key properties of N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide?
N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide has a molecular weight of 254.29 g/mol, XLogP of 0.16, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide is sourced from PubChem (CID 135438153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).