5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane

C10H20N4 — CID 12038162

IUPAC5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane
SMILESCC12NCCN3CCCN(CCN1)C32
InChIInChI=1S/C10H20N4/c1-10-9-13(7-3-11-10)5-2-6-14(9)8-4-12-10/h9,11-12H,2-8H2,1H3
InChIKeyPTCOOQLPLDIDDR-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.76
Rot. Bonds

About 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane

5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane (PubChem CID 12038162) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane.

Molecular Properties

Compound Name5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane
PubChem CID12038162
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane
SMILESCC12NCCN3CCCN(CCN1)C32
InChIInChI=1S/C10H20N4/c1-10-9-13(7-3-11-10)5-2-6-14(9)8-4-12-10/h9,11-12H,2-8H2,1H3
InChIKeyPTCOOQLPLDIDDR-UHFFFAOYSA-N
XLogP-0.76
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Dodecahydro-1,4,7,9b-tetraazaphenalene
CID 98134
1,4,7,9b-Tetraazaphenalene, dodecahydro-2,5,8-trimethyl-
CID 72582
(1S,3R,5S,7R,9S,11R)-3,7,11-trimethyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
CID 100987522
(1S,3S,5S,7S,9S,11S)-3,7,11-trimethyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
CID 162901679
trans-Octahydro-1H,4H,7H-1,3a,6a,9-tetraazaphenalene
CID 10921158
Dodecahydropyrimido[2',1':3,4]pyrazino[1,2-a]pyrimidine
CID 12712894
2,6-Dimethyldecahydropyrazino[2,3-B]pyrazine
CID 19864750
2,7-Dimethyldecahydropyrazino[2,3-B]pyrazine
CID 57347996
Decahydro-4a,8a-dimethylpyrazino(2,3-b)pyrazine
CID 10975930
4,9-Dimethylperhydro-2,3a,5a,7,8a,10a-hexaazapyrene
CID 134811525
(1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
CID 12712895
2,2,6,6-Tetramethyl-1,3,4,4a,5,7,8,8a-octahydropyrazino[2,3-b]pyrazine
CID 23279032

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
The IUPAC name of 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane (CID 12038162) is 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane.
What is the SMILES notation for 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
The canonical SMILES for 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane is CC12NCCN3CCCN(CCN1)C32.
What is the InChIKey of 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
The InChIKey is PTCOOQLPLDIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-10-9-13(7-3-11-10)5-2-6-14(9)8-4-12-10/h9,11-12H,2-8H2,1H3.
What are the key properties of 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane?
5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane has a molecular weight of 196.30 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane is sourced from PubChem (CID 12038162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).