tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate

C12H18N4O2 — CID 169467001

IUPACtert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnc(N)cn1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)14-6-4-5-9-7-16-10(13)8-15-9/h4-5,7-8H,6H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyPQYCBWXVMILYFB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.60
Rot. Bonds3

About tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate (PubChem CID 169467001) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
PubChem CID169467001
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nametert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnc(N)cn1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)14-6-4-5-9-7-16-10(13)8-15-9/h4-5,7-8H,6H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyPQYCBWXVMILYFB-UHFFFAOYSA-N
XLogP1.60
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate 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

tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144
tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169467613
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
CID 89268543
CID 89268543
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467597
tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169466951
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169467631
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate (CID 169467001) is tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cnc(N)cn1.
What is the InChIKey of tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate?
The InChIKey is PQYCBWXVMILYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)14-6-4-5-9-7-16-10(13)8-15-9/h4-5,7-8H,6H2,1-3H3,(H2,13,16)(H,14,17).
What are the key properties of tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).