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

C24H24N10 — CID 4776675

IUPAC10-methyl-4-[3-(5-phenyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1ncc2c1ncn1nc(C34CC5CC(C3)CC(n3nnc(-c6ccccc6)n3)(C5)C4)nc21
InChIInChI=1S/C24H24N10/c1-32-20-18(12-26-32)21-27-22(30-33(21)14-25-20)23-8-15-7-16(9-23)11-24(10-15,13-23)34-29-19(28-31-34)17-5-3-2-4-6-17/h2-6,12,14-16H,7-11,13H2,1H3
InChIKeyVRWICNFCUIARMG-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.91
Rot. Bonds3

About 10-methyl-4-[3-(5-phenyltetrazol-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-phenyltetrazol-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 4776675) has the molecular formula C24H24N10 and a molecular weight of 452.53 g/mol. Its IUPAC name is 10-methyl-4-[3-(5-phenyltetrazol-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-phenyltetrazol-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 CID4776675
Molecular FormulaC24H24N10
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name10-methyl-4-[3-(5-phenyltetrazol-2-yl)-1-adamantyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1ncc2c1ncn1nc(C34CC5CC(C3)CC(n3nnc(-c6ccccc6)n3)(C5)C4)nc21
InChIInChI=1S/C24H24N10/c1-32-20-18(12-26-32)21-27-22(30-33(21)14-25-20)23-8-15-7-16(9-23)11-24(10-15,13-23)34-29-19(28-31-34)17-5-3-2-4-6-17/h2-6,12,14-16H,7-11,13H2,1H3
InChIKeyVRWICNFCUIARMG-UHFFFAOYSA-N
XLogP2.91
TPSA104.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-methyl-4-[3-(5-phenyltetrazol-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-phenyltetrazol-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-phenyltetrazol-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 4776675) is 10-methyl-4-[3-(5-phenyltetrazol-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-phenyltetrazol-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-phenyltetrazol-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 Cn1ncc2c1ncn1nc(C34CC5CC(C3)CC(n3nnc(-c6ccccc6)n3)(C5)C4)nc21.
What is the InChIKey of 10-methyl-4-[3-(5-phenyltetrazol-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 VRWICNFCUIARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10/c1-32-20-18(12-26-32)21-27-22(30-33(21)14-25-20)23-8-15-7-16(9-23)11-24(10-15,13-23)34-29-19(28-31-34)17-5-3-2-4-6-17/h2-6,12,14-16H,7-11,13H2,1H3.
What are the key properties of 10-methyl-4-[3-(5-phenyltetrazol-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-phenyltetrazol-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 452.53 g/mol, XLogP of 2.91, 3 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-phenyltetrazol-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 4776675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).