(1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane

C10H20N4 — CID 12712895

IUPAC(1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
SMILESC1CN[C@H]2[C@@H]3NCCCN3CCN2C1
InChIInChI=1S/C10H20N4/c1-3-11-9-10-12-4-2-6-14(10)8-7-13(9)5-1/h9-12H,1-8H2/t9-,10-/m1/s1
InChIKeyUFIHNLZICKCIRN-NXEZZACHSA-N
MW196.30 g/mol
LogP-0.76
Rot. Bonds

About (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane

(1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane (PubChem CID 12712895) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane.

Molecular Properties

Compound Name(1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
PubChem CID12712895
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
SMILESC1CN[C@H]2[C@@H]3NCCCN3CCN2C1
InChIInChI=1S/C10H20N4/c1-3-11-9-10-12-4-2-6-14(10)8-7-13(9)5-1/h9-12H,1-8H2/t9-,10-/m1/s1
InChIKeyUFIHNLZICKCIRN-NXEZZACHSA-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
Decahydro-4a,8a-dimethylpyrazino(2,3-b)pyrazine
CID 10975930
1,5-Dimethyldecahydropyrazino[2,3-B]pyrazine
CID 45099537
5-Methyl-1,4,6,9-tetrazatricyclo[7.3.1.05,13]tridecane
CID 12038162
1,4,8,10,13,15-Hexaaza-tricyclo[13,3,1,1 4,8]icosane
CID 15220325
1,3,6,10,12,15-Hexaazatricyclo [13.3.1.16,10]eicosane
CID 101625765
Dodecahydro-1,4,7,9b-tetraazaphenalen-trihydrochlorid-hydrat
CID 129654590

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
The IUPAC name of (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane (CID 12712895) is (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane.
What is the SMILES notation for (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
The canonical SMILES for (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane is C1CN[C@H]2[C@@H]3NCCCN3CCN2C1.
What is the InChIKey of (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
The InChIKey is UFIHNLZICKCIRN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-11-9-10-12-4-2-6-14(10)8-7-13(9)5-1/h9-12H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane?
(1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane 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 (1R,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane is sourced from PubChem (CID 12712895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).