N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

C10H17N5O — CID 53393360

IUPACN-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C10H17N5O/c1-10(2,3)12-9(16)8-14-13-7-6-11-4-5-15(7)8/h11H,4-6H2,1-3H3,(H,12,16)
InChIKeyNVHFJZVJZIDGPG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.09
Rot. Bonds1

About N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 53393360) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID53393360
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C10H17N5O/c1-10(2,3)12-9(16)8-14-13-7-6-11-4-5-15(7)8/h11H,4-6H2,1-3H3,(H,12,16)
InChIKeyNVHFJZVJZIDGPG-UHFFFAOYSA-N
XLogP-0.09
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The IUPAC name of N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 53393360) is N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is CC(C)(C)NC(=O)c1nnc2n1CCNC2.
What is the InChIKey of N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is NVHFJZVJZIDGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2,3)12-9(16)8-14-13-7-6-11-4-5-15(7)8/h11H,4-6H2,1-3H3,(H,12,16).
What are the key properties of N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is sourced from PubChem (CID 53393360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).