N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide

C13H19N5O — CID 78954470

IUPACN-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H19N5O/c19-13(14-6-11-15-17-18-16-11)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10,12H,1-6H2,(H,14,19)(H,15,16,17,18)
InChIKeyAHGJBFBXCNYDLQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.89
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide

N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide (PubChem CID 78954470) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide
PubChem CID78954470
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H19N5O/c19-13(14-6-11-15-17-18-16-11)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10,12H,1-6H2,(H,14,19)(H,15,16,17,18)
InChIKeyAHGJBFBXCNYDLQ-UHFFFAOYSA-N
XLogP0.89
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide (CID 78954470) is N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide is O=C(NCc1nn[nH]n1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide?
The InChIKey is AHGJBFBXCNYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-13(14-6-11-15-17-18-16-11)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10,12H,1-6H2,(H,14,19)(H,15,16,17,18).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide?
N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide is sourced from PubChem (CID 78954470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).