N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine

C12H17N5S — CID 80796047

IUPACN-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(N2CCCSCC2)n1
InChIInChI=1S/C12H17N5S/c1-13-10-9-17-5-3-14-11(17)12(15-10)16-4-2-7-18-8-6-16/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyZSJNYPZAGMPKGX-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.71
Rot. Bonds2

About N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine

N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80796047) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80796047
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(N2CCCSCC2)n1
InChIInChI=1S/C12H17N5S/c1-13-10-9-17-5-3-14-11(17)12(15-10)16-4-2-7-18-8-6-16/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyZSJNYPZAGMPKGX-UHFFFAOYSA-N
XLogP1.71
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine (CID 80796047) is N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine is CNc1cn2ccnc2c(N2CCCSCC2)n1.
What is the InChIKey of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is ZSJNYPZAGMPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-13-10-9-17-5-3-14-11(17)12(15-10)16-4-2-7-18-8-6-16/h3,5,9,13H,2,4,6-8H2,1H3.
What are the key properties of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 263.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).