N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide

C14H16N4O — CID 110475489

IUPACN-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1cn[nH]n1
InChIInChI=1S/C14H16N4O/c19-13(12-9-16-18-17-12)15-10-14(7-4-8-14)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,19)(H,16,17,18)
InChIKeyAVRJDGXDAVRSHF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.66
Rot. Bonds4

About N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide

N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 110475489) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
PubChem CID110475489
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1cn[nH]n1
InChIInChI=1S/C14H16N4O/c19-13(12-9-16-18-17-12)15-10-14(7-4-8-14)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,19)(H,16,17,18)
InChIKeyAVRJDGXDAVRSHF-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
N-[(1-phenylsulfanylcyclopropyl)methyl]-2H-triazole-4-carboxamide
CID 56785490
N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 17488509
N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
CID 105420051
methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
CID 134001978
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide (CID 110475489) is N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide is O=C(NCC1(c2ccccc2)CCC1)c1cn[nH]n1.
What is the InChIKey of N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is AVRJDGXDAVRSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13(12-9-16-18-17-12)15-10-14(7-4-8-14)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,19)(H,16,17,18).
What are the key properties of N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide?
N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).