N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide

C12H20N4O — CID 109271428

IUPACN-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Nc1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-8(2)15-10-7-13-9(6-14-10)11(17)16-12(3,4)5/h6-8H,1-5H3,(H,14,15)(H,16,17)
InChIKeyICRIYYRSGLTXMZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.83
Rot. Bonds3

About N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide

N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide (PubChem CID 109271428) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
PubChem CID109271428
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Nc1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-8(2)15-10-7-13-9(6-14-10)11(17)16-12(3,4)5/h6-8H,1-5H3,(H,14,15)(H,16,17)
InChIKeyICRIYYRSGLTXMZ-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271353
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109287251
N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109287277
N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271537
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279517
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide (CID 109271428) is N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide is CC(C)Nc1cnc(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The InChIKey is ICRIYYRSGLTXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)15-10-7-13-9(6-14-10)11(17)16-12(3,4)5/h6-8H,1-5H3,(H,14,15)(H,16,17).
What are the key properties of N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).