3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide

C14H21N5O — CID 2851017

IUPAC3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide
SMILESCCC12CC3CC(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2
InChIInChI=1S/C14H21N5O/c1-2-13-4-9-3-10(5-13)7-14(6-9,8-13)11(20)15-12-16-18-19-17-12/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19,20)
InChIKeyAGQMBQLYIPSXBR-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.13
Rot. Bonds3

About 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide

3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide (PubChem CID 2851017) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide
PubChem CID2851017
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide
SMILESCCC12CC3CC(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2
InChIInChI=1S/C14H21N5O/c1-2-13-4-9-3-10(5-13)7-14(6-9,8-13)11(20)15-12-16-18-19-17-12/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19,20)
InChIKeyAGQMBQLYIPSXBR-UHFFFAOYSA-N
XLogP2.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide 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 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide?
The IUPAC name of 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide (CID 2851017) is 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide is CCC12CC3CC(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2.
What is the InChIKey of 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide?
The InChIKey is AGQMBQLYIPSXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-13-4-9-3-10(5-13)7-14(6-9,8-13)11(20)15-12-16-18-19-17-12/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19,20).
What are the key properties of 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide?
3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2851017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).