N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine

C8H15N5 — CID 165463200

IUPACN-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine
SMILESCNCC1Cn2c(C)nnc2CN1
InChIInChI=1S/C8H15N5/c1-6-11-12-8-4-10-7(3-9-2)5-13(6)8/h7,9-10H,3-5H2,1-2H3
InChIKeyGYSRGZINBYRWAM-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.72
Rot. Bonds2

About N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine

N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine (PubChem CID 165463200) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine
PubChem CID165463200
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine
SMILESCNCC1Cn2c(C)nnc2CN1
InChIInChI=1S/C8H15N5/c1-6-11-12-8-4-10-7(3-9-2)5-13(6)8/h7,9-10H,3-5H2,1-2H3
InChIKeyGYSRGZINBYRWAM-UHFFFAOYSA-N
XLogP-0.72
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine (CID 165463200) is N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine is CNCC1Cn2c(C)nnc2CN1.
What is the InChIKey of N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine?
The InChIKey is GYSRGZINBYRWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-6-11-12-8-4-10-7(3-9-2)5-13(6)8/h7,9-10H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine?
N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanamine is sourced from PubChem (CID 165463200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).