N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide

C9H17N3O — CID 10313403

IUPACN-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide
SMILESCC(C)(C)NC(=O)C1=CNCCN1
InChIInChI=1S/C9H17N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h6,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyWEQQZURGFDMELU-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.06
Rot. Bonds1

About N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide

N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide (PubChem CID 10313403) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide
PubChem CID10313403
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide
SMILESCC(C)(C)NC(=O)C1=CNCCN1
InChIInChI=1S/C9H17N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h6,10-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyWEQQZURGFDMELU-UHFFFAOYSA-N
XLogP-0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide?
The IUPAC name of N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide (CID 10313403) is N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide?
The canonical SMILES for N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide is CC(C)(C)NC(=O)C1=CNCCN1.
What is the InChIKey of N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide?
The InChIKey is WEQQZURGFDMELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h6,10-11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide?
N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide has a molecular weight of 183.25 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide is sourced from PubChem (CID 10313403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).