2-(1,4-diazepan-1-yl)acetohydrazide

C7H16N4O — CID 63577135

IUPAC2-(1,4-diazepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCCNCC1
InChIInChI=1S/C7H16N4O/c8-10-7(12)6-11-4-1-2-9-3-5-11/h9H,1-6,8H2,(H,10,12)
InChIKeyIMZLMBNJDPOZDA-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.73
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)acetohydrazide

2-(1,4-diazepan-1-yl)acetohydrazide (PubChem CID 63577135) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)acetohydrazide
PubChem CID63577135
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name2-(1,4-diazepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCCNCC1
InChIInChI=1S/C7H16N4O/c8-10-7(12)6-11-4-1-2-9-3-5-11/h9H,1-6,8H2,(H,10,12)
InChIKeyIMZLMBNJDPOZDA-UHFFFAOYSA-N
XLogP-1.73
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(azonan-1-yl)acetohydrazide
CID 130750156
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
CID 119906348
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-[8-(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 170568662
methyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoate
CID 62839439
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119906765

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)acetohydrazide?
The IUPAC name of 2-(1,4-diazepan-1-yl)acetohydrazide (CID 63577135) is 2-(1,4-diazepan-1-yl)acetohydrazide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)acetohydrazide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)acetohydrazide is NNC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)acetohydrazide?
The InChIKey is IMZLMBNJDPOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c8-10-7(12)6-11-4-1-2-9-3-5-11/h9H,1-6,8H2,(H,10,12).
What are the key properties of 2-(1,4-diazepan-1-yl)acetohydrazide?
2-(1,4-diazepan-1-yl)acetohydrazide has a molecular weight of 172.23 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)acetohydrazide is sourced from PubChem (CID 63577135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).