6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one

C6H12N4O — CID 123586413

IUPAC6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
SMILESN/C1=N/CCCNC(=O)C1N
InChIInChI=1S/C6H12N4O/c7-4-5(8)9-2-1-3-10-6(4)11/h4H,1-3,7H2,(H2,8,9)(H,10,11)
InChIKeyGVPPBJJJRGVWEA-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.81
Rot. Bonds

About 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one

6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one (PubChem CID 123586413) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one.

Molecular Properties

Compound Name6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
PubChem CID123586413
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
SMILESN/C1=N/CCCNC(=O)C1N
InChIInChI=1S/C6H12N4O/c7-4-5(8)9-2-1-3-10-6(4)11/h4H,1-3,7H2,(H2,8,9)(H,10,11)
InChIKeyGVPPBJJJRGVWEA-UHFFFAOYSA-N
XLogP-1.81
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59279705
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CID 59872363
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
2,3-diamino-3-imino-N-methylpropanamide
CID 123527174
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737
7,8-Diamino-5-methyl-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 123945777
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride
CID 141396645
(S)-5-Amino-3-methyl-1,6-dihydropyrazin-2(3H)-one
CID 45092769
N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide
CID 45120810
2-(1-aminoethylideneamino)-N-ethylpropanamide
CID 63173362
2-(1-aminoethylideneamino)-N-propylpropanamide
CID 63173363
2-(1-aminopropylideneamino)-N-ethylpropanamide
CID 63177665

Frequently Asked Questions

What is the IUPAC name of 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
The IUPAC name of 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one (CID 123586413) is 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one.
What is the SMILES notation for 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
The canonical SMILES for 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one is N/C1=N/CCCNC(=O)C1N.
What is the InChIKey of 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
The InChIKey is GVPPBJJJRGVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-4-5(8)9-2-1-3-10-6(4)11/h4H,1-3,7H2,(H2,8,9)(H,10,11).
What are the key properties of 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one has a molecular weight of 156.19 g/mol, XLogP of -1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one is sourced from PubChem (CID 123586413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).