tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate

C15H20N4O2 — CID 52903782

IUPACtert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCc1nnc(CNC(=O)OC(C)(C)C)n1-c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-11-17-18-13(10-16-14(20)21-15(2,3)4)19(11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,20)
InChIKeyRPCSBHXTZXQRBF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate

tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate (PubChem CID 52903782) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
PubChem CID52903782
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCc1nnc(CNC(=O)OC(C)(C)C)n1-c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-11-17-18-13(10-16-14(20)21-15(2,3)4)19(11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,20)
InChIKeyRPCSBHXTZXQRBF-UHFFFAOYSA-N
XLogP2.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
CID 143835042
tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate
CID 123773332
tert-butyl N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]carbamate
CID 2823519
tert-butyl N-[[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]carbamate
CID 1448423
3-(chloromethyl)-5-methyl-4-phenyl-1,2,4-triazole
CID 79021080
tert-butyl N-[[4-(3-fluorophenyl)-1-methyl-5-oxo-1,2,4-triazol-3-yl]methyl]carbamate
CID 169041652
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(1-benzyl-5-methylpyrrol-2-yl)methyl]carbamate
CID 102041016
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate (CID 52903782) is tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate is Cc1nnc(CNC(=O)OC(C)(C)C)n1-c1ccccc1.
What is the InChIKey of tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate?
The InChIKey is RPCSBHXTZXQRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-17-18-13(10-16-14(20)21-15(2,3)4)19(11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,20).
What are the key properties of tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate?
tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate is sourced from PubChem (CID 52903782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).