N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide

C14H20N4O — CID 78971785

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20N4O/c19-14(15-6-12-16-7-17-18-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13H,1-6H2,(H,15,19)(H,16,17,18)
InChIKeyWZMGJXKGAJIOEO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.49
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide (PubChem CID 78971785) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide
PubChem CID78971785
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20N4O/c19-14(15-6-12-16-7-17-18-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13H,1-6H2,(H,15,19)(H,16,17,18)
InChIKeyWZMGJXKGAJIOEO-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60983050
trans-(1S,2S)-2-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 95760745
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
N-(2H-tetrazol-5-ylmethyl)adamantane-2-carboxamide
CID 78954470
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104918546
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
N-[(4-bromophenyl)methyl]adamantane-2-carboxamide
CID 81100708
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide (CID 78971785) is N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide is O=C(NCc1ncn[nH]1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide?
The InChIKey is WZMGJXKGAJIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14(15-6-12-16-7-17-18-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13H,1-6H2,(H,15,19)(H,16,17,18).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide is sourced from PubChem (CID 78971785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).