tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate

C13H17N5O2 — CID 156846934

IUPACtert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(N)c1nc(C2CC2)cnc1C#N
InChIInChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)18(15)11-9(6-14)16-7-10(17-11)8-4-5-8/h7-8H,4-5,15H2,1-3H3
InChIKeyDEGJLFNCUJOWCZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate

tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate (PubChem CID 156846934) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate
PubChem CID156846934
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nametert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(N)c1nc(C2CC2)cnc1C#N
InChIInChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)18(15)11-9(6-14)16-7-10(17-11)8-4-5-8/h7-8H,4-5,15H2,1-3H3
InChIKeyDEGJLFNCUJOWCZ-UHFFFAOYSA-N
XLogP1.84
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-amino-N-[3,5-bis(2-cyanoethyl)pyrazin-2-yl]carbamate
CID 174798458
3-chloro-5-cyclopropylpyrazine-2-carbonitrile
CID 156846841
tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate
CID 174798238
tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118055996
tert-butyl N-amino-N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate
CID 174798281
tert-butyl N-amino-N-pyrimidin-5-ylcarbamate
CID 118992220
tert-butyl 2-(3-cyano-6-methylpyrazin-2-yl)acetate
CID 170699897
tert-butyl N-amino-N-(3-methyl-2-pyridinyl)carbamate
CID 173130501
tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate
CID 170775187
tert-butyl N-amino-N-(6-bromoisoquinolin-1-yl)carbamate
CID 174579707
tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
CID 60502996
tert-butyl N-amino-N-[2-[cyclopentyl(methyl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamate
CID 177168109

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate (CID 156846934) is tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate is CC(C)(C)OC(=O)N(N)c1nc(C2CC2)cnc1C#N.
What is the InChIKey of tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate?
The InChIKey is DEGJLFNCUJOWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)18(15)11-9(6-14)16-7-10(17-11)8-4-5-8/h7-8H,4-5,15H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate?
tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate has a molecular weight of 275.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate is sourced from PubChem (CID 156846934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).