2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide

C11H18N10O2 — CID 102148000

IUPAC2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
SMILESNNC(=O)CN(CCn1cnc2c(N)ncnc21)CC(=O)NN
InChIInChI=1S/C11H18N10O2/c12-10-9-11(16-5-15-10)21(6-17-9)2-1-20(3-7(22)18-13)4-8(23)19-14/h5-6H,1-4,13-14H2,(H,18,22)(H,19,23)(H2,12,15,16)
InChIKeyJJJHHLLNLZUJLX-UHFFFAOYSA-N
MW322.33 g/mol
LogP-3.31
Rot. Bonds7

About 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide

2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide (PubChem CID 102148000) has the molecular formula C11H18N10O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide.

Molecular Properties

Compound Name2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
PubChem CID102148000
Molecular FormulaC11H18N10O2
Molecular Weight322.33 g/mol
Exact Mass322.16
IUPAC Name2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
SMILESNNC(=O)CN(CCn1cnc2c(N)ncnc21)CC(=O)NN
InChIInChI=1S/C11H18N10O2/c12-10-9-11(16-5-15-10)21(6-17-9)2-1-20(3-7(22)18-13)4-8(23)19-14/h5-6H,1-4,13-14H2,(H,18,22)(H,19,23)(H2,12,15,16)
InChIKeyJJJHHLLNLZUJLX-UHFFFAOYSA-N
XLogP-3.31
TPSA183.10 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 5-3.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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

N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
CID 2755806
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
9-nonylpurin-6-amine
CID 3816519
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
CID 62664724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide?
The IUPAC name of 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide (CID 102148000) is 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide.
What is the SMILES notation for 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide?
The canonical SMILES for 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide is NNC(=O)CN(CCn1cnc2c(N)ncnc21)CC(=O)NN.
What is the InChIKey of 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide?
The InChIKey is JJJHHLLNLZUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N10O2/c12-10-9-11(16-5-15-10)21(6-17-9)2-1-20(3-7(22)18-13)4-8(23)19-14/h5-6H,1-4,13-14H2,(H,18,22)(H,19,23)(H2,12,15,16).
What are the key properties of 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide?
2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide has a molecular weight of 322.33 g/mol, XLogP of -3.31, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide is sourced from PubChem (CID 102148000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).