1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane

C6H10N4 — CID 20667383

IUPAC1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane
SMILESC1N2CN3CN4CN1C2C34
InChIInChI=1S/C6H10N4/c1-7-3-9-2-10-4-8(1)5(7)6(9)10/h5-6H,1-4H2
InChIKeyNKQPKBONBXYYBL-UHFFFAOYSA-N
MW138.17 g/mol
LogP-1.27
Rot. Bonds

About 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane

1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane (PubChem CID 20667383) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane.

Molecular Properties

Compound Name1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane
PubChem CID20667383
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane
SMILESC1N2CN3CN4CN1C2C34
InChIInChI=1S/C6H10N4/c1-7-3-9-2-10-4-8(1)5(7)6(9)10/h5-6H,1-4H2
InChIKeyNKQPKBONBXYYBL-UHFFFAOYSA-N
XLogP-1.27
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane
CID 101135242
1,5,9,12-tetrazatetracyclo[7.6.2.05,16.012,17]heptadecane
CID 54122759
(2R,22S,26R,27S,31R,32S,36R,37S,41R,42S)-1,3,5,7,9,11,13,15,17,19,21,23,25,28,30,33,35,38,40,43-icosazahexadecacyclo[21.21.1.13,21.125,28.130,33.135,38.140,43.02,22.05,42.07,41.09,37.011,36.013,32.015,31.017,27.019,26]pentacontane-6,10,14,18,45,46,47,48,49-nonone
CID 154728152
1,4,7-triazatricyclo[5.2.1.02,6]decane
CID 55299006
1,3,5-tris[4-(3,5-dimethyl-1,3,5-triazinan-1-yl)cyclohexyl]-1,3,5-triazinane
CID 126584438
3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane
CID 58681478
methane;oxaldehyde;1,4,8,11-tetrazacyclotetradecane;1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane
CID 161364617
2-iodo-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 90996025
1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane
CID 167009896
4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl
CID 71297228
(8R)-4,7,8-trimethyl-4-azaspiro[2.5]oct-5-ene
CID 163677109
(2S,3S,15R,16R)-1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane-2,3-dicarbonitrile
CID 15189470

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane?
The IUPAC name of 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane (CID 20667383) is 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane.
What is the SMILES notation for 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane?
The canonical SMILES for 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane is C1N2CN3CN4CN1C2C34.
What is the InChIKey of 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane?
The InChIKey is NKQPKBONBXYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-7-3-9-2-10-4-8(1)5(7)6(9)10/h5-6H,1-4H2.
What are the key properties of 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane?
1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane has a molecular weight of 138.17 g/mol, XLogP of -1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrazatetracyclo[5.2.1.03,9.05,8]decane is sourced from PubChem (CID 20667383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).