[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone

C13H15N5OS — CID 103422726

IUPAC[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESNc1cc(N2CCn3cnnc3C2)sc1C(=O)C1CC1
InChIInChI=1S/C13H15N5OS/c14-9-5-11(20-13(9)12(19)8-1-2-8)17-3-4-18-7-15-16-10(18)6-17/h5,7-8H,1-4,6,14H2
InChIKeyYVQXQDDMXGVAPB-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.53
Rot. Bonds3

About [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103422726) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID103422726
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESNc1cc(N2CCn3cnnc3C2)sc1C(=O)C1CC1
InChIInChI=1S/C13H15N5OS/c14-9-5-11(20-13(9)12(19)8-1-2-8)17-3-4-18-7-15-16-10(18)6-17/h5,7-8H,1-4,6,14H2
InChIKeyYVQXQDDMXGVAPB-UHFFFAOYSA-N
XLogP1.53
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone (CID 103422726) is [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone is Nc1cc(N2CCn3cnnc3C2)sc1C(=O)C1CC1.
What is the InChIKey of [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is YVQXQDDMXGVAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-9-5-11(20-13(9)12(19)8-1-2-8)17-3-4-18-7-15-16-10(18)6-17/h5,7-8H,1-4,6,14H2.
What are the key properties of [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 289.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103422726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).