N'-heptylpyrimidine-5-carbohydrazide

C12H20N4O — CID 156654791

IUPACN'-heptylpyrimidine-5-carbohydrazide
SMILESCCCCCCCNNC(=O)c1cncnc1
InChIInChI=1S/C12H20N4O/c1-2-3-4-5-6-7-15-16-12(17)11-8-13-10-14-9-11/h8-10,15H,2-7H2,1H3,(H,16,17)
InChIKeySOVIHCZUEKQUFE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.68
Rot. Bonds8

About N'-heptylpyrimidine-5-carbohydrazide

N'-heptylpyrimidine-5-carbohydrazide (PubChem CID 156654791) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-heptylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound NameN'-heptylpyrimidine-5-carbohydrazide
PubChem CID156654791
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN'-heptylpyrimidine-5-carbohydrazide
SMILESCCCCCCCNNC(=O)c1cncnc1
InChIInChI=1S/C12H20N4O/c1-2-3-4-5-6-7-15-16-12(17)11-8-13-10-14-9-11/h8-10,15H,2-7H2,1H3,(H,16,17)
InChIKeySOVIHCZUEKQUFE-UHFFFAOYSA-N
XLogP1.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-undecylpyridine-4-carbohydrazide
CID 27387
N'-ethylpyrimidine-5-carbohydrazide
CID 140545121
N'-butyl-3,4-dimethylbenzohydrazide
CID 162213335
N'-butyl-4-methylbenzohydrazide
CID 118418346
N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
CID 139558708
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788
N-octadecylpyridine-3-carboxamide
CID 3547337
ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177318198
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
N-methylpyrimidine-5-carboxamide
CID 23534458
methyl N-(hexylamino)carbamate
CID 141204686

Frequently Asked Questions

What is the IUPAC name of N'-heptylpyrimidine-5-carbohydrazide?
The IUPAC name of N'-heptylpyrimidine-5-carbohydrazide (CID 156654791) is N'-heptylpyrimidine-5-carbohydrazide.
What is the SMILES notation for N'-heptylpyrimidine-5-carbohydrazide?
The canonical SMILES for N'-heptylpyrimidine-5-carbohydrazide is CCCCCCCNNC(=O)c1cncnc1.
What is the InChIKey of N'-heptylpyrimidine-5-carbohydrazide?
The InChIKey is SOVIHCZUEKQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-3-4-5-6-7-15-16-12(17)11-8-13-10-14-9-11/h8-10,15H,2-7H2,1H3,(H,16,17).
What are the key properties of N'-heptylpyrimidine-5-carbohydrazide?
N'-heptylpyrimidine-5-carbohydrazide has a molecular weight of 236.32 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 156654791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).