N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

C7H11N5O — CID 159105354

IUPACN-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCNC(=O)C1NNC2=CN=CCN21
InChIInChI=1S/C7H11N5O/c1-8-7(13)6-11-10-5-4-9-2-3-12(5)6/h2,4,6,10-11H,3H2,1H3,(H,8,13)
InChIKeyKDUTZVRZSMGYQX-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.65
Rot. Bonds1

About N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 159105354) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID159105354
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCNC(=O)C1NNC2=CN=CCN21
InChIInChI=1S/C7H11N5O/c1-8-7(13)6-11-10-5-4-9-2-3-12(5)6/h2,4,6,10-11H,3H2,1H3,(H,8,13)
InChIKeyKDUTZVRZSMGYQX-UHFFFAOYSA-N
XLogP-1.65
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The IUPAC name of N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 159105354) is N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is CNC(=O)C1NNC2=CN=CCN21.
What is the InChIKey of N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is KDUTZVRZSMGYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-8-7(13)6-11-10-5-4-9-2-3-12(5)6/h2,4,6,10-11H,3H2,1H3,(H,8,13).
What are the key properties of N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is sourced from PubChem (CID 159105354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).