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

C18H26N8O — CID 131921643

IUPACN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)CCCn5cncn5)(C4)C2)C3)n1
InChIInChI=1S/C18H26N8O/c1-13-22-24-26(23-13)18-8-14-5-15(9-18)7-17(6-14,10-18)21-16(27)3-2-4-25-12-19-11-20-25/h11-12,14-15H,2-10H2,1H3,(H,21,27)
InChIKeyVDLCCIKAJXHYAJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.22
Rot. Bonds6

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

N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 131921643) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID131921643
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC NameN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)CCCn5cncn5)(C4)C2)C3)n1
InChIInChI=1S/C18H26N8O/c1-13-22-24-26(23-13)18-8-14-5-15(9-18)7-17(6-14,10-18)21-16(27)3-2-4-25-12-19-11-20-25/h11-12,14-15H,2-10H2,1H3,(H,21,27)
InChIKeyVDLCCIKAJXHYAJ-UHFFFAOYSA-N
XLogP1.22
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 131921643) is N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide is Cc1nnn(C23CC4CC(CC(NC(=O)CCCn5cncn5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is VDLCCIKAJXHYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-13-22-24-26(23-13)18-8-14-5-15(9-18)7-17(6-14,10-18)21-16(27)3-2-4-25-12-19-11-20-25/h11-12,14-15H,2-10H2,1H3,(H,21,27).
What are the key properties of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 370.46 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 131921643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).