N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine

C16H21N7 — CID 45224608

IUPACN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine
SMILESCc1nnn(C23CC4CC(CC(Nc5cnccn5)(C4)C2)C3)n1
InChIInChI=1S/C16H21N7/c1-11-20-22-23(21-11)16-7-12-4-13(8-16)6-15(5-12,10-16)19-14-9-17-2-3-18-14/h2-3,9,12-13H,4-8,10H2,1H3,(H,18,19)
InChIKeyFLPZDOJYMPKWBE-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.93
Rot. Bonds3

About N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine

N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine (PubChem CID 45224608) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine
PubChem CID45224608
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC NameN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine
SMILESCc1nnn(C23CC4CC(CC(Nc5cnccn5)(C4)C2)C3)n1
InChIInChI=1S/C16H21N7/c1-11-20-22-23(21-11)16-7-12-4-13(8-16)6-15(5-12,10-16)19-14-9-17-2-3-18-14/h2-3,9,12-13H,4-8,10H2,1H3,(H,18,19)
InChIKeyFLPZDOJYMPKWBE-UHFFFAOYSA-N
XLogP1.93
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine?
The IUPAC name of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine (CID 45224608) is N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine.
What is the SMILES notation for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine?
The canonical SMILES for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine is Cc1nnn(C23CC4CC(CC(Nc5cnccn5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine?
The InChIKey is FLPZDOJYMPKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-11-20-22-23(21-11)16-7-12-4-13(8-16)6-15(5-12,10-16)19-14-9-17-2-3-18-14/h2-3,9,12-13H,4-8,10H2,1H3,(H,18,19).
What are the key properties of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine?
N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine is sourced from PubChem (CID 45224608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).