[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine

C13H17N5 — CID 64575255

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CCn3cnnc3C2)cc1
InChIInChI=1S/C13H17N5/c14-7-11-1-3-12(4-2-11)8-17-5-6-18-10-15-16-13(18)9-17/h1-4,10H,5-9,14H2
InChIKeyPBXWXYWRBZTWGM-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.75
Rot. Bonds3

About [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine (PubChem CID 64575255) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine
PubChem CID64575255
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CCn3cnnc3C2)cc1
InChIInChI=1S/C13H17N5/c14-7-11-1-3-12(4-2-11)8-17-5-6-18-10-15-16-13(18)9-17/h1-4,10H,5-9,14H2
InChIKeyPBXWXYWRBZTWGM-UHFFFAOYSA-N
XLogP0.75
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine (CID 64575255) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine is NCc1ccc(CN2CCn3cnnc3C2)cc1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine?
The InChIKey is PBXWXYWRBZTWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-7-11-1-3-12(4-2-11)8-17-5-6-18-10-15-16-13(18)9-17/h1-4,10H,5-9,14H2.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 64575255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).