3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene

C12H20N4 — CID 56616203

IUPAC3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
SMILESc1cc2nc(c1)CNCCNCCCNC2
InChIInChI=1S/C12H20N4/c1-3-11-9-14-6-2-5-13-7-8-15-10-12(4-1)16-11/h1,3-4,13-15H,2,5-10H2
InChIKeyMIYXKMFTSSPEGN-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.25
Rot. Bonds

About 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene

3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene (PubChem CID 56616203) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene.

Molecular Properties

Compound Name3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
PubChem CID56616203
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
SMILESc1cc2nc(c1)CNCCNCCCNC2
InChIInChI=1S/C12H20N4/c1-3-11-9-14-6-2-5-13-7-8-15-10-12(4-1)16-11/h1,3-4,13-15H,2,5-10H2
InChIKeyMIYXKMFTSSPEGN-UHFFFAOYSA-N
XLogP0.25
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene;trichloroiron
CID 11395537
3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene
CID 165352114
6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen
CID 142978119
15-[[3-(3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-15-yloxymethyl)phenyl]methoxy]-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene
CID 102272458
6,9-dioxa-3,18-diazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
CID 161101695
3,7,11,14,18,22-hexazabicyclo[22.2.2]octacosa-1(26),24,27-triene
CID 10510676
3,7,10,14-tetrazabicyclo[14.2.2]icosa-1(18),16,19-triene
CID 10446177
3-[[4-(3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(22),8,10,12(24),19(23),20-hexaen-3-ylmethyl)phenyl]methyl]-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(22),8,10,12(24),19(23),20-hexaene;octahydrobromide
CID 86751731
6-benzyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CID 15069690
(4R,9S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 162300662
(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 59602778
(14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
CID 59897822

Frequently Asked Questions

What is the IUPAC name of 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
The IUPAC name of 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene (CID 56616203) is 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene.
What is the SMILES notation for 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
The canonical SMILES for 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene is c1cc2nc(c1)CNCCNCCCNC2.
What is the InChIKey of 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
The InChIKey is MIYXKMFTSSPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-11-9-14-6-2-5-13-7-8-15-10-12(4-1)16-11/h1,3-4,13-15H,2,5-10H2.
What are the key properties of 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene has a molecular weight of 220.32 g/mol, XLogP of 0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene is sourced from PubChem (CID 56616203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).