(5-tert-butyltriazin-4-yl) N-benzylcarbamate

C15H18N4O2 — CID 175480077

IUPAC(5-tert-butyltriazin-4-yl) N-benzylcarbamate
SMILESCC(C)(C)c1cnnnc1OC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N4O2/c1-15(2,3)12-10-17-19-18-13(12)21-14(20)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,20)
InChIKeyQZZHYFYEDASVRC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.46
Rot. Bonds3

About (5-tert-butyltriazin-4-yl) N-benzylcarbamate

(5-tert-butyltriazin-4-yl) N-benzylcarbamate (PubChem CID 175480077) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (5-tert-butyltriazin-4-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(5-tert-butyltriazin-4-yl) N-benzylcarbamate
PubChem CID175480077
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(5-tert-butyltriazin-4-yl) N-benzylcarbamate
SMILESCC(C)(C)c1cnnnc1OC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N4O2/c1-15(2,3)12-10-17-19-18-13(12)21-14(20)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,20)
InChIKeyQZZHYFYEDASVRC-UHFFFAOYSA-N
XLogP2.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-tert-butyltriazin-4-yl) N-benzylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;ethyl N-benzylcarbamate
CID 67715166
(4-methylphenyl) N-benzylcarbamate
CID 14292552
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]carbamate
CID 18348128
N'-benzyloxamide
CID 561416
N-benzyltetrazin-5-amine
CID 91284101
3-benzyl-2,2-dimethyl-4-phenylbutanamide
CID 175211278
N-benzyl-5,5-dimethyl-2,4-dioxohexanamide
CID 15445664

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyltriazin-4-yl) N-benzylcarbamate?
The IUPAC name of (5-tert-butyltriazin-4-yl) N-benzylcarbamate (CID 175480077) is (5-tert-butyltriazin-4-yl) N-benzylcarbamate.
What is the SMILES notation for (5-tert-butyltriazin-4-yl) N-benzylcarbamate?
The canonical SMILES for (5-tert-butyltriazin-4-yl) N-benzylcarbamate is CC(C)(C)c1cnnnc1OC(=O)NCc1ccccc1.
What is the InChIKey of (5-tert-butyltriazin-4-yl) N-benzylcarbamate?
The InChIKey is QZZHYFYEDASVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,3)12-10-17-19-18-13(12)21-14(20)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,20).
What are the key properties of (5-tert-butyltriazin-4-yl) N-benzylcarbamate?
(5-tert-butyltriazin-4-yl) N-benzylcarbamate has a molecular weight of 286.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyltriazin-4-yl) N-benzylcarbamate is sourced from PubChem (CID 175480077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).