2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide

C18H26N8O — CID 131942747

IUPAC2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)C(C)Cn5cncn5)(C4)C2)C3)n1
InChIInChI=1S/C18H26N8O/c1-12(8-25-11-19-10-20-25)16(27)21-17-4-14-3-15(5-17)7-18(6-14,9-17)26-23-13(2)22-24-26/h10-12,14-15H,3-9H2,1-2H3,(H,21,27)
InChIKeyLCPVGKHFDSGPKZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.07
Rot. Bonds5

About 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide

2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 131942747) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID131942747
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)C(C)Cn5cncn5)(C4)C2)C3)n1
InChIInChI=1S/C18H26N8O/c1-12(8-25-11-19-10-20-25)16(27)21-17-4-14-3-15(5-17)7-18(6-14,9-17)26-23-13(2)22-24-26/h10-12,14-15H,3-9H2,1-2H3,(H,21,27)
InChIKeyLCPVGKHFDSGPKZ-UHFFFAOYSA-N
XLogP1.07
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 131942747) is 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1nnn(C23CC4CC(CC(NC(=O)C(C)Cn5cncn5)(C4)C2)C3)n1.
What is the InChIKey of 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is LCPVGKHFDSGPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-12(8-25-11-19-10-20-25)16(27)21-17-4-14-3-15(5-17)7-18(6-14,9-17)26-23-13(2)22-24-26/h10-12,14-15H,3-9H2,1-2H3,(H,21,27).
What are the key properties of 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 370.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 131942747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).