10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C19H22N10 — CID 4776666

IUPAC10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nnn(C23CC4CC(CC(c5nc6c7cnn(C)c7ncn6n5)(C4)C2)C3)n1
InChIInChI=1S/C19H22N10/c1-11-23-26-29(24-11)19-6-12-3-13(7-19)5-18(4-12,9-19)17-22-16-14-8-21-27(2)15(14)20-10-28(16)25-17/h8,10,12-13H,3-7,9H2,1-2H3
InChIKeyJUODUGCIVCXISF-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.55
Rot. Bonds2

About 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 4776666) has the molecular formula C19H22N10 and a molecular weight of 390.46 g/mol. Its IUPAC name is 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID4776666
Molecular FormulaC19H22N10
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Name10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nnn(C23CC4CC(CC(c5nc6c7cnn(C)c7ncn6n5)(C4)C2)C3)n1
InChIInChI=1S/C19H22N10/c1-11-23-26-29(24-11)19-6-12-3-13(7-19)5-18(4-12,9-19)17-22-16-14-8-21-27(2)15(14)20-10-28(16)25-17/h8,10,12-13H,3-7,9H2,1-2H3
InChIKeyJUODUGCIVCXISF-UHFFFAOYSA-N
XLogP1.55
TPSA104.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 4776666) is 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1nnn(C23CC4CC(CC(c5nc6c7cnn(C)c7ncn6n5)(C4)C2)C3)n1.
What is the InChIKey of 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is JUODUGCIVCXISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10/c1-11-23-26-29(24-11)19-6-12-3-13(7-19)5-18(4-12,9-19)17-22-16-14-8-21-27(2)15(14)20-10-28(16)25-17/h8,10,12-13H,3-7,9H2,1-2H3.
What are the key properties of 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 390.46 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 4776666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).