N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide

C19H24N4O2 — CID 75364800

IUPACN-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccco2)n[nH]1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24N4O2/c24-19(17-13-7-11-6-12(9-13)10-14(17)8-11)20-4-3-16-21-18(23-22-16)15-2-1-5-25-15/h1-2,5,11-14,17H,3-4,6-10H2,(H,20,24)(H,21,22,23)
InChIKeyKZUWZXDMLWQENN-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.80
Rot. Bonds5

About N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide

N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide (PubChem CID 75364800) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
PubChem CID75364800
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccco2)n[nH]1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24N4O2/c24-19(17-13-7-11-6-12(9-13)10-14(17)8-11)20-4-3-16-21-18(23-22-16)15-2-1-5-25-15/h1-2,5,11-14,17H,3-4,6-10H2,(H,20,24)(H,21,22,23)
InChIKeyKZUWZXDMLWQENN-UHFFFAOYSA-N
XLogP2.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide with MolForge

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Related Compounds

N-Benzyl-3-(furan-2-YL)-1-(3-methylbenzoyl)-1H-1,2,4-triazol-5-amine
CID 4210923
3-(2-furyl)-N-(4-isopropylbenzyl)-1H-1,2,4-triazol-5-amine
CID 16015443
N-(1-adamantyl)-2-(furan-2-yl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 127032986
1-(5-(Furan-2-yl)-4H-1,2,4-triazol-3-yl)-7-phenylheptan-1-one
CID 24948913
1-benzoyl-N-benzyl-3-(2-furyl)-1H-1,2,4-triazol-5-amine
CID 2981057
1-[5-(Benzylamino)-3-(furan-2-YL)-1H-1,2,4-triazol-1-YL]-2-phenylethan-1-one
CID 4038040
1-[(Furan-2-YL)methyl]-3-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192089
2-furyl[3-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192187
1-[(Furan-2-YL)methyl]-4-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192304
1-(Furan-2-carbonyl)-4-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192385
(2S)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 95763730
(2S)-2-cyclohexyloxy-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
CID 97095331

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide (CID 75364800) is N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide is O=C(NCCc1nc(-c2ccco2)n[nH]1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide?
The InChIKey is KZUWZXDMLWQENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(17-13-7-11-6-12(9-13)10-14(17)8-11)20-4-3-16-21-18(23-22-16)15-2-1-5-25-15/h1-2,5,11-14,17H,3-4,6-10H2,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide?
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide is sourced from PubChem (CID 75364800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).