(2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene

C19H20N6 — CID 92570708

IUPAC(2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
SMILESc1cncc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1
InChIInChI=1S/C19H20N6/c1-3-14(9-20-7-1)11-24-12-16-5-6-18-22-23-19(25(18)17(16)13-24)15-4-2-8-21-10-15/h1-4,7-10,16-17H,5-6,11-13H2/t16-,17+/m1/s1
InChIKeyLGYJAZCXSGBFKI-SJORKVTESA-N
MW332.41 g/mol
LogP2.35
Rot. Bonds3

About (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene

(2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene (PubChem CID 92570708) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene.

Molecular Properties

Compound Name(2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
PubChem CID92570708
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name(2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
SMILESc1cncc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1
InChIInChI=1S/C19H20N6/c1-3-14(9-20-7-1)11-24-12-16-5-6-18-22-23-19(25(18)17(16)13-24)15-4-2-8-21-10-15/h1-4,7-10,16-17H,5-6,11-13H2/t16-,17+/m1/s1
InChIKeyLGYJAZCXSGBFKI-SJORKVTESA-N
XLogP2.35
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-4-[(4-methoxyphenyl)methyl]-12-pyridin-4-yl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92596041
(2R,6R)-12-methyl-4-(pyridin-4-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565932
(2R,6R)-4-[(3S)-3-phenylbutyl]-12-pyridin-4-yl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92581864
(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 46225140
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-(1-fluorocyclopropyl)methanone
CID 131685837
(2R,6R)-12-methyl-4-(thiophen-2-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565931
N-cyclopropyl-3-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740493
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906
(4aS,8aR)-1-[3-(dimethylamino)propyl]-6-(pyridin-3-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133116816

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The IUPAC name of (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene (CID 92570708) is (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene.
What is the SMILES notation for (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The canonical SMILES for (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene is c1cncc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1.
What is the InChIKey of (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The InChIKey is LGYJAZCXSGBFKI-SJORKVTESA-N. The full InChI is InChI=1S/C19H20N6/c1-3-14(9-20-7-1)11-24-12-16-5-6-18-22-23-19(25(18)17(16)13-24)15-4-2-8-21-10-15/h1-4,7-10,16-17H,5-6,11-13H2/t16-,17+/m1/s1.
What are the key properties of (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
(2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene has a molecular weight of 332.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-12-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene is sourced from PubChem (CID 92570708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).